PubChemLite - 131019-73-3 (C37H50N4P2)

Structural Information

Molecular Formula

SMILES

C[C@@H](C[C@H](C)P(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)P(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C37H50N4P2/c1-28(42(34-19-11-30(12-20-34)38(3)4)35-21-13-31(14-22-35)39(5)6)27-29(2)43(36-23-15-32(16-24-36)40(7)8)37-25-17-33(18-26-37)41(9)10/h11-26,28-29H,27H2,1-10H3/t28-,29-/m0/s1

InChIKey

VBGIRSPSBAXTDD-VMPREFPWSA-N

Compound name

4-[[(2S,4S)-4-bis[4-(dimethylamino)phenyl]phosphanylpentan-2-yl]-[4-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	613.35838	260.1
[M+Na]+	635.34032	255.9
[M-H]-	611.34382	272.3
[M+NH4]+	630.38492	262.6
[M+K]+	651.31426	255.5
[M+H-H2O]+	595.34836	241.3
[M+HCOO]-	657.34930	289.2
[M+CH3COO]-	671.36495	293.3
[M+Na-2H]-	633.32577	244.7
[M]+	612.35055	263.6
[M]-	612.35165	263.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.35838

260.1

[M+Na]+

635.34032

255.9

[M-H]-

611.34382

272.3

[M+NH4]+

630.38492

262.6

[M+K]+

651.31426

255.5

[M+H-H2O]+

595.34836

241.3

[M+HCOO]-

657.34930

289.2

[M+CH3COO]-

671.36495

293.3

[M+Na-2H]-

633.32577

244.7

[M]+

612.35055

263.6

[M]-

612.35165

263.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

131019-73-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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