PubChemLite - 712352-08-4 (C36H30NO2P)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76

InChI

InChI=1S/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3/t25-,26-/m1/s1

InChIKey

LKZPDRCMCSBQFN-CLJLJLNGSA-N

Compound name

N,N-bis[(1R)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

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]+	540.20868	242.9
[M+Na]+	562.19062	261.2
[M+NH4]+	557.23522	251.6
[M+K]+	578.16456	249.6
[M-H]-	538.19412	255.5
[M+Na-2H]-	560.17607	251.7
[M]+	539.20085	249.8
[M]-	539.20195	249.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.20868

242.9

[M+Na]+

562.19062

261.2

[M+NH4]+

557.23522

251.6

[M+K]+

578.16456

249.6

[M-H]-

538.19412

255.5

[M+Na-2H]-

560.17607

251.7

[M]+

539.20085

249.8

[M]-

539.20195

249.8

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

712352-08-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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