CID 21821944

8-chloro-5-methyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CN1CCC(=O)NC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C10H11ClN2O/c1-13-5-4-10(14)12-8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKey
ANMZLKNIENHOLV-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 139.8
[M+Na]+ 233.04520 148.9
[M-H]- 209.04870 141.5
[M+NH4]+ 228.08980 156.7
[M+K]+ 249.01914 148.1
[M+H-H2O]+ 193.05324 133.2
[M+HCOO]- 255.05418 152.7
[M+CH3COO]- 269.06983 151.7
[M+Na-2H]- 231.03065 145.6
[M]+ 210.05543 136.0
[M]- 210.05653 136.0
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.