CID 20021

4084-16-6

Structural Information

Molecular Formula
C20H23ClFN3O
SMILES
CN(C)CCCN1C(=O)CNC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C20H23ClFN3O/c1-24(2)10-5-11-25-18-9-8-14(21)12-16(18)20(23-13-19(25)26)15-6-3-4-7-17(15)22/h3-4,6-9,12,20,23H,5,10-11,13H2,1-2H3
InChIKey
RGNUFAUSYWCXAC-UHFFFAOYSA-N
Compound name
7-chloro-1-[3-(dimethylamino)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

375.15137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15865 186.4
[M+Na]+ 398.14059 194.0
[M-H]- 374.14409 190.6
[M+NH4]+ 393.18519 197.3
[M+K]+ 414.11453 191.9
[M+H-H2O]+ 358.14863 176.1
[M+HCOO]- 420.14957 197.9
[M+CH3COO]- 434.16522 195.0
[M+Na-2H]- 396.12604 187.1
[M]+ 375.15082 184.1
[M]- 375.15192 184.1
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.