CID 3059527

2,3,4,7,8,9-hexahydro-8-phenyl-5h-pyrrolo(1,2-a)(1,3)diazepin-5-one

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CC(=O)N2CC(CC2=NC1)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O/c17-14-7-4-8-15-13-9-12(10-16(13)14)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
OVILYMJTVOEALW-UHFFFAOYSA-N
Compound name
8-phenyl-2,3,4,7,8,9-hexahydropyrrolo[1,2-a][1,3]diazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.9
[M+Na]+ 251.11549 163.6
[M+NH4]+ 246.16009 160.8
[M+K]+ 267.08943 159.4
[M-H]- 227.11899 155.7
[M+Na-2H]- 249.10094 159.0
[M]+ 228.12572 155.1
[M]- 228.12682 155.1
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

No patent data available for this compound.