CID 20160

4191-05-3

Structural Information

Molecular Formula
C19H21ClFN3O
SMILES
CNCCCN1C(=O)CNC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C19H21ClFN3O/c1-22-9-4-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-2-3-6-16(14)21/h2-3,5-8,11,19,22-23H,4,9-10,12H2,1H3
InChIKey
LEJWDAKFODNWKP-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1-[3-(methylamino)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1357 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14298 180.9
[M+Na]+ 384.12492 192.4
[M+NH4]+ 379.16952 187.0
[M+K]+ 400.09886 185.4
[M-H]- 360.12842 183.1
[M+Na-2H]- 382.11037 186.2
[M]+ 361.13515 183.3
[M]- 361.13625 183.3
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.