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 200.1
[M+Na]+ 427.13769 211.8
[M-H]- 403.14119 207.0
[M+NH4]+ 422.18229 208.5
[M+K]+ 443.11163 205.1
[M+H-H2O]+ 387.14573 188.5
[M+HCOO]- 449.14667 217.4
[M+CH3COO]- 463.16232 209.8
[M+Na-2H]- 425.12314 199.1
[M]+ 404.14792 205.6
[M]- 404.14902 205.6
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.