CID 3400

Flutoprazepam

Structural Information

Molecular Formula
C19H16ClFN2O
SMILES
C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
InChI
InChI=1S/C19H16ClFN2O/c20-13-7-8-17-15(9-13)19(14-3-1-2-4-16(14)21)22-10-18(24)23(17)11-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2
InChIKey
OFVXPDXXVSGEPX-UHFFFAOYSA-N
Compound name
7-chloro-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2055
Patents

342.0935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10078 173.8
[M+Na]+ 365.08272 184.6
[M-H]- 341.08622 181.2
[M+NH4]+ 360.12732 181.6
[M+K]+ 381.05666 181.3
[M+H-H2O]+ 325.09076 163.8
[M+HCOO]- 387.09170 187.5
[M+CH3COO]- 401.10735 183.7
[M+Na-2H]- 363.06817 176.5
[M]+ 342.09295 174.1
[M]- 342.09405 174.1
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