CID 38732

Brn 0763940

Structural Information

Molecular Formula
C18H17ClN2O4
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCC(CO)O
InChI
InChI=1S/C18H17ClN2O4/c19-12-6-7-15-14(8-12)16(11-4-2-1-3-5-11)21-18(17(24)20-15)25-10-13(23)9-22/h1-8,13,18,22-23H,9-10H2,(H,20,24)
InChIKey
PZDVAPOFNSWRFD-UHFFFAOYSA-N
Compound name
7-chloro-3-(2,3-dihydroxypropoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.08768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09496 179.4
[M+Na]+ 383.07690 191.2
[M+NH4]+ 378.12150 184.7
[M+K]+ 399.05084 186.3
[M-H]- 359.08040 180.7
[M+Na-2H]- 381.06235 184.4
[M]+ 360.08713 181.6
[M]- 360.08823 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.