CID 51056303

Diphenyl 1h-benzimidazol-2-ylamidophosphate

Structural Information

Molecular Formula
C19H16N3O3P
SMILES
C1=CC=C(C=C1)OP(=O)(NC2=NC3=CC=CC=C3N2)OC4=CC=CC=C4
InChI
InChI=1S/C19H16N3O3P/c23-26(24-15-9-3-1-4-10-15,25-16-11-5-2-6-12-16)22-19-20-17-13-7-8-14-18(17)21-19/h1-14H,(H2,20,21,22,23)
InChIKey
GBYXTGVJBPOPOY-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphoryl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09293 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10021 181.5
[M+Na]+ 388.08215 187.6
[M-H]- 364.08565 187.1
[M+NH4]+ 383.12675 192.0
[M+K]+ 404.05609 182.4
[M+H-H2O]+ 348.09019 168.6
[M+HCOO]- 410.09113 207.7
[M+CH3COO]- 424.10678 212.2
[M+Na-2H]- 386.06760 186.6
[M]+ 365.09238 182.3
[M]- 365.09348 182.3
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.