PubChemLite - 490023-37-5 (C28H22NO2P)

Structural Information

Molecular Formula

SMILES

CN(CC1=CC=CC=C1)P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

InChI

InChI=1S/C28H22NO2P/c1-29(19-20-9-3-2-4-10-20)32-30-25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)31-32/h2-18H,19H2,1H3

InChIKey

OHGGHRJGBXAKKY-UHFFFAOYSA-N

Compound name

N-benzyl-N-methyl-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]+	436.14610	212.8
[M+Na]+	458.12804	231.2
[M+NH4]+	453.17264	222.4
[M+K]+	474.10198	220.4
[M-H]-	434.13154	223.9
[M+Na-2H]-	456.11349	221.5
[M]+	435.13827	219.3
[M]-	435.13937	219.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.14610

212.8

[M+Na]+

458.12804

231.2

[M+NH4]+

453.17264

222.4

[M+K]+

474.10198

220.4

[M-H]-

434.13154

223.9

[M+Na-2H]-

456.11349

221.5

[M]+

435.13827

219.3

[M]-

435.13937

219.3

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

490023-37-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe