CID 3059512

76696-77-0

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C)C1C(=O)N2CC(CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2O/c1-10(2)14-15(18)17-9-12(8-13(17)16-14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChIKey
QPTIGEGEOUALSJ-UHFFFAOYSA-N
Compound name
6-phenyl-2-propan-2-yl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.6
[M+Na]+ 265.13112 165.6
[M-H]- 241.13462 162.8
[M+NH4]+ 260.17572 177.1
[M+K]+ 281.10506 161.9
[M+H-H2O]+ 225.13916 150.0
[M+HCOO]- 287.14010 176.9
[M+CH3COO]- 301.15575 169.7
[M+Na-2H]- 263.11657 157.1
[M]+ 242.14135 156.9
[M]- 242.14245 156.9
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.