CID 4245707

(carbamoyl-(5-phenyl-tetrazol-1-yl)-methyl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C27H23N5OP
SMILES
C1=CC=C(C=C1)C2=NN=NN2C(C(=O)N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H22N5OP/c28-25(33)27(32-26(29-30-31-32)21-13-5-1-6-14-21)34(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27H,(H-,28,33)/p+1
InChIKey
TWUDVKGAYBKKEB-UHFFFAOYSA-O
Compound name
[2-amino-2-oxo-1-(5-phenyltetrazol-1-yl)ethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.16403 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17131 211.3
[M+Na]+ 487.15325 212.7
[M-H]- 463.15675 219.5
[M+NH4]+ 482.19785 212.5
[M+K]+ 503.12719 200.2
[M+H-H2O]+ 447.16129 196.9
[M+HCOO]- 509.16223 230.5
[M+CH3COO]- 523.17788 227.8
[M+Na-2H]- 485.13870 213.1
[M]+ 464.16348 205.2
[M]- 464.16458 205.2
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.