CID 4586525

23380-89-4

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1=CC=C(C=C1)C23CCCN2C4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18-11-4-12-20(18)16-6-3-2-5-15(16)17(21)19-18/h2-3,5-10H,4,11-12H2,1H3,(H,19,21)
InChIKey
VKSGEJUKUQEJQV-UHFFFAOYSA-N
Compound name
3a-(4-methoxyphenyl)-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

294.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.2
[M+Na]+ 317.12606 183.9
[M+NH4]+ 312.17066 180.4
[M+K]+ 333.10000 175.7
[M-H]- 293.12956 173.8
[M+Na-2H]- 315.11151 177.3
[M]+ 294.13629 173.3
[M]- 294.13739 173.3
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.