CID 3070092

85732-33-8

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CN1C(=O)NC2=CC=CC=C2C13CCN(CC3)CC(C4=CC(=C(C=C4)OC)OC)O
InChI
InChI=1S/C23H29N3O4/c1-25-22(28)24-18-7-5-4-6-17(18)23(25)10-12-26(13-11-23)15-19(27)16-8-9-20(29-2)21(14-16)30-3/h4-9,14,19,27H,10-13,15H2,1-3H3,(H,24,28)
InChIKey
GOEMANQIHBIFOC-UHFFFAOYSA-N
Compound name
1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.21582 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 202.7
[M+Na]+ 434.20504 207.5
[M-H]- 410.20854 204.5
[M+NH4]+ 429.24964 210.4
[M+K]+ 450.17898 201.9
[M+H-H2O]+ 394.21308 191.0
[M+HCOO]- 456.21402 210.2
[M+CH3COO]- 470.22967 208.5
[M+Na-2H]- 432.19049 202.8
[M]+ 411.21527 198.9
[M]- 411.21637 198.9
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.