CID 3741669

1,3-dihydro-4-(2-hydroxyphenyl)-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3O
InChI
InChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)
InChIKey
HUFCCRRBLQYUTK-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

252.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 156.4
[M+Na]+ 275.079088 164.0
[M-H]- 251.082594 160.3
[M+NH4]+ 270.123693 169.6
[M+K]+ 291.053028 162.8
[M+H-H2O]+ 235.087130 148.7
[M+HCOO]- 297.088071 173.3
[M+CH3COO]- 311.103721 167.0
[M+Na-2H]- 273.064536 162.6
[M]+ 252.08932142 151.0
[M]- 252.09041858 151.0
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

patents stripe