CID 6435962

114496-25-2

Structural Information

Molecular Formula
C22H19IN4O4
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)C
InChI
InChI=1S/C22H19IN4O4/c1-12-24-17-7-6-15(23)11-16(17)21(28)26(12)27-13(2)25-18(22(27)29)9-14-5-8-19(30-3)20(10-14)31-4/h5-11H,1-4H3/b18-9-
InChIKey
FZOGBZPQTZEKLE-NVMNQCDNSA-N
Compound name
3-[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-6-iodo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0451 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.05238 201.3
[M+Na]+ 553.03432 206.2
[M-H]- 529.03782 200.9
[M+NH4]+ 548.07892 204.9
[M+K]+ 569.00826 205.5
[M+H-H2O]+ 513.04236 186.7
[M+HCOO]- 575.04330 213.6
[M+CH3COO]- 589.05895 235.4
[M+Na-2H]- 551.01977 189.4
[M]+ 530.04455 204.3
[M]- 530.04565 204.3
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.