PubChemLite - Cdri 71-150 (C36H37F2N5)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CC2=C3C=CC=CN3C(=C2C4=CC=CC=C4)CN5CCN(CC5)C6=CC=C(C=C6)F)C7=CC=C(C=C7)F

InChI

InChI=1S/C36H37F2N5/c37-29-9-13-31(14-10-29)41-22-18-39(19-23-41)26-33-34-8-4-5-17-43(34)35(36(33)28-6-2-1-3-7-28)27-40-20-24-42(25-21-40)32-15-11-30(38)12-16-32/h1-17H,18-27H2

InChIKey

ISTGMLUGUOBFSK-UHFFFAOYSA-N

Compound name

1,3-bis[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenylindolizine

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]+	578.30898	247.2
[M+Na]+	600.29092	250.7
[M-H]-	576.29442	254.8
[M+NH4]+	595.33552	244.2
[M+K]+	616.26486	237.6
[M+H-H2O]+	560.29896	226.5
[M+HCOO]-	622.29990	251.8
[M+CH3COO]-	636.31555	248.5
[M+Na-2H]-	598.27637	239.6
[M]+	577.30115	237.6
[M]-	577.30225	237.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

578.30898

247.2

[M+Na]+

600.29092

250.7

[M-H]-

576.29442

254.8

[M+NH4]+

595.33552

244.2

[M+K]+

616.26486

237.6

[M+H-H2O]+

560.29896

226.5

[M+HCOO]-

622.29990

251.8

[M+CH3COO]-

636.31555

248.5

[M+Na-2H]-

598.27637

239.6

[M]+

577.30115

237.6

[M]-

577.30225

237.6

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

Cdri 71-150

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe