CID 6435963

114496-28-5

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)C
InChI
InChI=1S/C23H22N4O4/c1-5-21-25-17-9-7-6-8-16(17)22(28)27(21)26-14(2)24-18(23(26)29)12-15-10-11-19(30-3)20(13-15)31-4/h6-13H,5H2,1-4H3/b18-12-
InChIKey
MEEASMIVCBMSCU-PDGQHHTCSA-N
Compound name
3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-ethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 204.4
[M+Na]+ 441.15332 215.7
[M-H]- 417.15682 211.1
[M+NH4]+ 436.19792 212.3
[M+K]+ 457.12726 208.7
[M+H-H2O]+ 401.16136 192.6
[M+HCOO]- 463.16230 221.4
[M+CH3COO]- 477.17795 228.8
[M+Na-2H]- 439.13877 203.0
[M]+ 418.16355 210.2
[M]- 418.16465 210.2
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.