CID 72802

63931-90-8

Structural Information

Molecular Formula
C15H12N4O2
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N
InChI
InChI=1S/C15H12N4O2/c16-13(20)14-18-17-12-9-5-4-8-11(12)15(21)19(14)10-6-2-1-3-7-10/h1-9,17H,(H2,16,20)
InChIKey
SYLXSYKPLOSTDX-UHFFFAOYSA-N
Compound name
5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09604 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 164.3
[M+Na]+ 303.08526 171.7
[M-H]- 279.08876 167.9
[M+NH4]+ 298.12986 175.1
[M+K]+ 319.05920 171.0
[M+H-H2O]+ 263.09330 154.6
[M+HCOO]- 325.09424 181.1
[M+CH3COO]- 339.10989 174.0
[M+Na-2H]- 301.07071 169.5
[M]+ 280.09549 158.5
[M]- 280.09659 158.5
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.