CID 3048706

1h-1,2,4-benzotriazepine-3-carboxamide, 4,5-dihydro-7-chloro-4-methyl-3-oxo-

Structural Information

Molecular Formula
C10H9ClN4O2
SMILES
CN1C(=O)C2=C(C=CC(=C2)Cl)NN=C1C(=O)N
InChI
InChI=1S/C10H9ClN4O2/c1-15-9(8(12)16)14-13-7-3-2-5(11)4-6(7)10(15)17/h2-4,13H,1H3,(H2,12,16)
InChIKey
LKZPCFSLXSODLF-UHFFFAOYSA-N
Compound name
7-chloro-4-methyl-5-oxo-1H-1,2,4-benzotriazepine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0414 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04868 150.6
[M+Na]+ 275.03062 160.9
[M-H]- 251.03412 151.5
[M+NH4]+ 270.07522 164.3
[M+K]+ 291.00456 160.7
[M+H-H2O]+ 235.03866 142.3
[M+HCOO]- 297.03960 163.5
[M+CH3COO]- 311.05525 195.1
[M+Na-2H]- 273.01607 155.0
[M]+ 252.04085 147.7
[M]- 252.04195 147.7
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.