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 183.8
[M+Na]+ 398.10422 192.7
[M-H]- 374.10772 188.7
[M+NH4]+ 393.14882 194.8
[M+K]+ 414.07816 191.6
[M+H-H2O]+ 358.11226 173.7
[M+HCOO]- 420.11320 197.2
[M+CH3COO]- 434.12885 193.3
[M+Na-2H]- 396.08967 186.2
[M]+ 375.11445 184.0
[M]- 375.11555 184.0
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.