CID 209797

2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)OC
InChI
InChI=1S/C11H11ClN2O2/c1-14-9-4-3-7(12)5-8(9)11(16-2)13-6-10(14)15/h3-5H,6H2,1-2H3
InChIKey
TZPLDIZBSIRGMA-UHFFFAOYSA-N
Compound name
7-chloro-5-methoxy-1-methyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

238.0509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 144.9
[M+Na]+ 261.040118 155.8
[M-H]- 237.043624 148.5
[M+NH4]+ 256.084723 161.8
[M+K]+ 277.014058 156.3
[M+H-H2O]+ 221.048160 138.0
[M+HCOO]- 283.049101 160.5
[M+CH3COO]- 297.064751 192.6
[M+Na-2H]- 259.025566 150.9
[M]+ 238.05035142 146.2
[M]- 238.05144858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe