CID 13266666

7-fenil-1,5,6,7,8,8a-esaidro-2-(2-propenil)imidazo(1,5-a)pirazin-3(2h)-one cloridrato

Structural Information

Molecular Formula
C15H19N3O
SMILES
C=CCN1CC2CN(CCN2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O/c1-2-8-17-12-14-11-16(9-10-18(14)15(17)19)13-6-4-3-5-7-13/h2-7,14H,1,8-12H2
InChIKey
QCLKYBWYOSBSDN-UHFFFAOYSA-N
Compound name
7-phenyl-2-prop-2-enyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 162.5
[M+Na]+ 280.14202 169.2
[M-H]- 256.14552 165.1
[M+NH4]+ 275.18662 177.9
[M+K]+ 296.11596 164.1
[M+H-H2O]+ 240.15006 152.9
[M+HCOO]- 302.15100 177.8
[M+CH3COO]- 316.16665 172.6
[M+Na-2H]- 278.12747 163.7
[M]+ 257.15225 158.3
[M]- 257.15335 158.3
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.