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]+ 211.063256 139.8
[M+Na]+ 233.045198 148.9
[M-H]- 209.048704 141.5
[M+NH4]+ 228.089803 156.7
[M+K]+ 249.019138 148.1
[M+H-H2O]+ 193.053240 133.2
[M+HCOO]- 255.054181 152.7
[M+CH3COO]- 269.069831 151.7
[M+Na-2H]- 231.030646 145.6
[M]+ 210.05543142 136.0
[M]- 210.05652858 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.