CID 38731

1,3-dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-2h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C19H19ClN2O4
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OCC(CO)O)C3=CC=CC=C3
InChI
InChI=1S/C19H19ClN2O4/c1-22-16-8-7-13(20)9-15(16)17(12-5-3-2-4-6-12)21-18(19(22)25)26-11-14(24)10-23/h2-9,14,18,23-24H,10-11H2,1H3
InChIKey
UINFKULKHSCUPP-UHFFFAOYSA-N
Compound name
7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.10333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11061 183.7
[M+Na]+ 397.09255 196.1
[M+NH4]+ 392.13715 189.2
[M+K]+ 413.06649 190.9
[M-H]- 373.09605 185.5
[M+Na-2H]- 395.07800 188.8
[M]+ 374.10278 186.2
[M]- 374.10388 186.2
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.