CID 2848107

137987-36-1

Structural Information

Molecular Formula
C17H15N3O
SMILES
C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1
InChI
InChI=1S/C17H15N3O/c21-17-15-14(10-18-17)19-12-8-4-5-9-13(12)20-16(15)11-6-2-1-3-7-11/h1-9,16,19-20H,10H2,(H,18,21)
InChIKey
JMIDETFMZFEBIU-UHFFFAOYSA-N
Compound name
4-phenyl-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

8
References

6
Patents

277.12152 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 166.0
[M+Na]+ 300.11074 173.2
[M-H]- 276.11424 168.3
[M+NH4]+ 295.15534 179.0
[M+K]+ 316.08468 168.6
[M+H-H2O]+ 260.11878 157.5
[M+HCOO]- 322.11972 178.7
[M+CH3COO]- 336.13537 174.9
[M+Na-2H]- 298.09619 169.6
[M]+ 277.12097 157.3
[M]- 277.12207 157.3
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