CID 377488

Nsc658956

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CC1CC(=O)NC2=C(N1C(=O)C3CC3)C=CC(=C2)Cl
InChI
InChI=1S/C14H15ClN2O2/c1-8-6-13(18)16-11-7-10(15)4-5-12(11)17(8)14(19)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,16,18)
InChIKey
SUGROISCIHVAMI-UHFFFAOYSA-N
Compound name
7-chloro-1-(cyclopropanecarbonyl)-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0822 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 158.0
[M+Na]+ 301.07142 167.3
[M-H]- 277.07492 162.8
[M+NH4]+ 296.11602 167.7
[M+K]+ 317.04536 165.3
[M+H-H2O]+ 261.07946 150.4
[M+HCOO]- 323.08040 169.6
[M+CH3COO]- 337.09605 168.1
[M+Na-2H]- 299.05687 160.1
[M]+ 278.08165 156.9
[M]- 278.08275 156.9
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.