CID 2882931

Brn 5444314

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)O)C(=O)N1
InChI
InChI=1S/C17H15N3O2/c21-11-7-5-10(6-8-11)16-15-14(9-18-17(15)22)19-12-3-1-2-4-13(12)20-16/h1-8,16,19-21H,9H2,(H,18,22)
InChIKey
JBFLPFKPYMHUDS-UHFFFAOYSA-N
Compound name
4-(4-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

2
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 170.1
[M+Na]+ 316.10564 177.5
[M-H]- 292.10914 171.6
[M+NH4]+ 311.15024 182.0
[M+K]+ 332.07958 173.2
[M+H-H2O]+ 276.11368 162.0
[M+HCOO]- 338.11462 181.6
[M+CH3COO]- 352.13027 178.5
[M+Na-2H]- 314.09109 172.7
[M]+ 293.11587 161.5
[M]- 293.11697 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.