CID 3041152

Brn 0852859

Structural Information

Molecular Formula
C19H19ClFN3O2
SMILES
CCN(CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)O
InChI
InChI=1S/C19H19ClFN3O2/c1-2-23(26)9-10-24-17-8-7-13(20)11-15(17)19(22-12-18(24)25)14-5-3-4-6-16(14)21/h3-8,11,26H,2,9-10,12H2,1H3
InChIKey
PVTXVGCVARADNU-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-[ethyl(hydroxy)amino]ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.115 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12228 182.0
[M+Na]+ 398.10422 194.1
[M+NH4]+ 393.14882 187.9
[M+K]+ 414.07816 187.9
[M-H]- 374.10772 184.3
[M+Na-2H]- 396.08967 188.0
[M]+ 375.11445 184.6
[M]- 375.11555 184.6
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.