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 169.6
[M+Na]+ 317.12606 177.5
[M-H]- 293.12956 173.8
[M+NH4]+ 312.17066 187.0
[M+K]+ 333.10000 171.4
[M+H-H2O]+ 277.13410 160.3
[M+HCOO]- 339.13504 184.9
[M+CH3COO]- 353.15069 179.8
[M+Na-2H]- 315.11151 173.8
[M]+ 294.13629 166.7
[M]- 294.13739 166.7
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.