CID 63181

Mci 176

Structural Information

Molecular Formula
C24H31N3O4
SMILES
CC(C)OC1=CC2=C(C=C1)N=C(N(C2=O)CCN(C)C)CC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C24H31N3O4/c1-16(2)31-19-7-9-21-20(15-19)24(28)27(12-11-26(3)4)23(25-21)14-17-13-18(29-5)8-10-22(17)30-6/h7-10,13,15-16H,11-12,14H2,1-6H3
InChIKey
WMLHIIMHGSNIAL-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]-6-propan-2-yloxyquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

425.23145 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.23873 206.5
[M+Na]+ 448.22067 213.8
[M-H]- 424.22417 212.8
[M+NH4]+ 443.26527 215.4
[M+K]+ 464.19461 210.7
[M+H-H2O]+ 408.22871 195.0
[M+HCOO]- 470.22965 225.5
[M+CH3COO]- 484.24530 238.5
[M+Na-2H]- 446.20612 206.8
[M]+ 425.23090 215.7
[M]- 425.23200 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe