CID 20023

4084-17-7

Structural Information

Molecular Formula
C22H27ClFN3O
SMILES
CCN(CC)CCCN1C(=O)CNC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C22H27ClFN3O/c1-3-26(4-2)12-7-13-27-20-11-10-16(23)14-18(20)22(25-15-21(27)28)17-8-5-6-9-19(17)24/h5-6,8-11,14,22,25H,3-4,7,12-13,15H2,1-2H3
InChIKey
OWSXAEQOKRWIEY-UHFFFAOYSA-N
Compound name
7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18268 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18996 195.1
[M+Na]+ 426.17190 201.8
[M-H]- 402.17540 198.9
[M+NH4]+ 421.21650 204.8
[M+K]+ 442.14584 199.3
[M+H-H2O]+ 386.17994 184.3
[M+HCOO]- 448.18088 205.8
[M+CH3COO]- 462.19653 227.4
[M+Na-2H]- 424.15735 194.8
[M]+ 403.18213 193.4
[M]- 403.18323 193.4
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.