CID 135624027

53002-25-8

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
CN1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H12ClN3O/c1-19-15(20)17-13-8-7-11(16)9-12(13)14(18-19)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,20)
InChIKey
UUJRDPYACRJTIV-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-5-phenyl-1H-1,3,4-benzotriazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0669 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.1
[M+Na]+ 308.05612 177.9
[M+NH4]+ 303.10072 170.4
[M+K]+ 324.03006 171.0
[M-H]- 284.05962 166.1
[M+Na-2H]- 306.04157 171.0
[M]+ 285.06635 166.5
[M]- 285.06745 166.5
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.