CID 4419676

3a-(2,4-dimethylphenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinazolin-5(1h)-one

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1=CC(=C(C=C1)C23CCCN2C4=CC=CC=C4C(=O)N3)C
InChI
InChI=1S/C19H20N2O/c1-13-8-9-16(14(2)12-13)19-10-5-11-21(19)17-7-4-3-6-15(17)18(22)20-19/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,22)
InChIKey
WQEIGCARKMFJHC-UHFFFAOYSA-N
Compound name
3a-(2,4-dimethylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 171.3
[M+Na]+ 315.14678 185.6
[M+NH4]+ 310.19138 181.9
[M+K]+ 331.12072 176.8
[M-H]- 291.15028 175.4
[M+Na-2H]- 313.13223 178.3
[M]+ 292.15701 174.7
[M]- 292.15811 174.7
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.