CID 3057646

74101-74-9

Structural Information

Molecular Formula
C29H31N3O4
SMILES
CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)N3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C29H31N3O4/c1-19-10-11-23(16-26(19)32-20(2)30-25-9-7-6-8-24(25)29(32)34)18-31(21(3)33)15-14-22-12-13-27(35-4)28(17-22)36-5/h6-13,16-17H,14-15,18H2,1-5H3
InChIKey
HHUYYXXBPZAWHR-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.23145 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.23873 223.7
[M+Na]+ 508.22067 230.9
[M-H]- 484.22417 232.9
[M+NH4]+ 503.26527 229.4
[M+K]+ 524.19461 226.0
[M+H-H2O]+ 468.22871 210.2
[M+HCOO]- 530.22965 242.0
[M+CH3COO]- 544.24530 249.0
[M+Na-2H]- 506.20612 222.9
[M]+ 485.23090 231.1
[M]- 485.23200 231.1
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.