CID 3455688

32952-47-9

Structural Information

Molecular Formula
C17H15N3O
SMILES
C1C(C2C(=N1)NC3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H15N3O/c21-17-15-12(11-6-2-1-3-7-11)10-18-16(15)19-13-8-4-5-9-14(13)20-17/h1-9,12,15H,10H2,(H,18,19)(H,20,21)
InChIKey
BBPHKRQZUUTHKD-UHFFFAOYSA-N
Compound name
3-phenyl-3,3a,5,10-tetrahydro-2H-pyrrolo[2,3-b][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.12152 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 165.8
[M+Na]+ 300.11074 177.7
[M+NH4]+ 295.15534 173.0
[M+K]+ 316.08468 173.2
[M-H]- 276.11424 168.2
[M+Na-2H]- 298.09619 171.3
[M]+ 277.12097 168.1
[M]- 277.12207 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe