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]+ 294.12370 169.0
[M+Na]+ 316.10564 179.8
[M+NH4]+ 311.15024 175.1
[M+K]+ 332.07958 176.6
[M-H]- 292.10914 170.2
[M+Na-2H]- 314.09109 172.9
[M]+ 293.11587 170.7
[M]- 293.11697 170.7
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.