CID 364726

Nsc631384

Structural Information

Molecular Formula
C34H27N4P
SMILES
C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C34H27N4P/c35-24-30-28-20-10-11-21-29(28)34(38-32-23-13-12-22-31(32)36-33(30)38)37-39(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,12-19,22-23H,10-11,20-21H2
InChIKey
GJWJNMAQFUCYBQ-UHFFFAOYSA-N
Compound name
11-[(triphenyl-lambda5-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1973 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.20458 231.0
[M+Na]+ 545.18652 239.0
[M-H]- 521.19002 237.2
[M+NH4]+ 540.23112 235.7
[M+K]+ 561.16046 223.2
[M+H-H2O]+ 505.19456 208.2
[M+HCOO]- 567.19550 246.3
[M+CH3COO]- 581.21115 234.5
[M+Na-2H]- 543.17197 229.3
[M]+ 522.19675 222.0
[M]- 522.19785 222.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.