CID 2881967

137987-40-7

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4O)C(=O)N1
InChI
InChI=1S/C17H15N3O2/c21-14-8-4-1-5-10(14)16-15-13(9-18-17(15)22)19-11-6-2-3-7-12(11)20-16/h1-8,16,19-21H,9H2,(H,18,22)
InChIKey
VVYXODYYBJFRRQ-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 170.1
[M+Na]+ 316.105638 177.5
[M-H]- 292.109144 171.6
[M+NH4]+ 311.150243 182.0
[M+K]+ 332.079578 173.2
[M+H-H2O]+ 276.113680 162.0
[M+HCOO]- 338.114621 181.6
[M+CH3COO]- 352.130271 178.5
[M+Na-2H]- 314.091086 172.7
[M]+ 293.11587142 161.5
[M]- 293.11696858 161.5
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.