CID 3033621

Cinolazepam

Structural Information

Molecular Formula
C18H13ClFN3O2
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCC#N)O)F
InChI
InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2
InChIKey
XAXMYHMKTCNRRZ-UHFFFAOYSA-N
Compound name
3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

1854
Patents

357.06802 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.075296 177.3
[M+Na]+ 380.057238 189.6
[M-H]- 356.060744 179.6
[M+NH4]+ 375.101843 187.3
[M+K]+ 396.031178 185.4
[M+H-H2O]+ 340.065280 162.1
[M+HCOO]- 402.066221 186.8
[M+CH3COO]- 416.081871 185.7
[M+Na-2H]- 378.042686 179.0
[M]+ 357.06747142 171.7
[M]- 357.06856858 171.7
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