CID 63308

Brn 5657714

Structural Information

Molecular Formula
C25H25N3O4
SMILES
COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C25H25N3O4/c1-30-19-11-9-18(10-12-19)28-24(27-21-7-5-4-6-20(21)25(28)29)16-26-15-17-8-13-22(31-2)23(14-17)32-3/h4-14,26H,15-16H2,1-3H3
InChIKey
GLDYUCQIPIBBEI-UHFFFAOYSA-N
Compound name
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19178 206.8
[M+Na]+ 454.17372 214.9
[M-H]- 430.17722 215.0
[M+NH4]+ 449.21832 214.1
[M+K]+ 470.14766 209.2
[M+H-H2O]+ 414.18176 193.8
[M+HCOO]- 476.18270 227.0
[M+CH3COO]- 490.19835 233.6
[M+Na-2H]- 452.15917 210.7
[M]+ 431.18395 212.6
[M]- 431.18505 212.6
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.