CID 3057640

74101-63-6

Structural Information

Molecular Formula
C27H27N3O4
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C
InChI
InChI=1S/C27H27N3O4/c1-17-7-5-6-8-23(17)30-18(2)29-22-16-20(10-11-21(22)27(30)32)26(31)28-14-13-19-9-12-24(33-3)25(15-19)34-4/h5-12,15-16H,13-14H2,1-4H3,(H,28,31)
InChIKey
JDPLGFMLTBFZBC-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.20016 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.20744 215.5
[M+Na]+ 480.18938 223.5
[M-H]- 456.19288 223.7
[M+NH4]+ 475.23398 221.8
[M+K]+ 496.16332 217.6
[M+H-H2O]+ 440.19742 202.5
[M+HCOO]- 502.19836 234.0
[M+CH3COO]- 516.21401 240.3
[M+Na-2H]- 478.17483 216.4
[M]+ 457.19961 221.0
[M]- 457.20071 221.0
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.