CID 63974

114496-22-9

Structural Information

Molecular Formula
C22H20N4O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N3C(=NC(=CC4=CC(=C(C=C4)OC)OC)C3=O)C
InChI
InChI=1S/C22H20N4O4/c1-13-23-17-8-6-5-7-16(17)21(27)25(13)26-14(2)24-18(22(26)28)11-15-9-10-19(29-3)20(12-15)30-4/h5-12H,1-4H3
InChIKey
UMLLNSGMRQCVRD-UHFFFAOYSA-N
Compound name
3-[4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.14847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 199.3
[M+Na]+ 427.13769 215.7
[M+NH4]+ 422.18229 204.1
[M+K]+ 443.11163 210.2
[M-H]- 403.14119 202.7
[M+Na-2H]- 425.12314 205.5
[M]+ 404.14792 202.5
[M]- 404.14902 202.5
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.