CID 74511

1784-78-7

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3CCCCC3
InChI
InChI=1S/C16H19ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
InChIKey
WOWMEMNXULCAKT-UHFFFAOYSA-N
Compound name
7-chloro-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.1186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 165.6
[M+Na]+ 313.10782 172.9
[M-H]- 289.11132 170.5
[M+NH4]+ 308.15242 179.7
[M+K]+ 329.08176 171.2
[M+H-H2O]+ 273.11586 156.8
[M+HCOO]- 335.11680 176.4
[M+CH3COO]- 349.13245 175.6
[M+Na-2H]- 311.09327 168.0
[M]+ 290.11805 160.7
[M]- 290.11915 160.7
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

patents stripe