CID 370699

Nsc644196

Structural Information

Molecular Formula
C23H17N6O2P
SMILES
C1=CC=C(C=C1)P(=NC2=CC=C(C3=NN=NN23)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H17N6O2P/c30-29(31)21-16-17-22(28-23(21)24-26-27-28)25-32(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
KQOYKXKVEYTOCS-UHFFFAOYSA-N
Compound name
(8-nitrotetrazolo[1,5-a]pyridin-5-yl)imino-triphenyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.11505 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12233 197.6
[M+Na]+ 463.10427 201.9
[M-H]- 439.10777 206.4
[M+NH4]+ 458.14887 201.9
[M+K]+ 479.07821 191.4
[M+H-H2O]+ 423.11231 185.4
[M+HCOO]- 485.11325 223.1
[M+CH3COO]- 499.12890 226.0
[M+Na-2H]- 461.08972 206.1
[M]+ 440.11450 195.2
[M]- 440.11560 195.2
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.