CID 6435961

114496-23-0

Structural Information

Molecular Formula
C20H15IN4O2
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C
InChI
InChI=1S/C20H15IN4O2/c1-12-22-17-9-8-15(21)11-16(17)19(26)24(12)25-13(2)23-18(20(25)27)10-14-6-4-3-5-7-14/h3-11H,1-2H3/b18-10-
InChIKey
GUHHHBRIHKLONB-ZDLGFXPLSA-N
Compound name
3-[(4Z)-4-benzylidene-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

470.02396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.03124 184.4
[M+Na]+ 493.01318 189.3
[M-H]- 469.01668 183.6
[M+NH4]+ 488.05778 190.1
[M+K]+ 508.98712 187.4
[M+H-H2O]+ 453.02122 169.9
[M+HCOO]- 515.02216 197.4
[M+CH3COO]- 529.03781 190.8
[M+Na-2H]- 490.99863 174.8
[M]+ 470.02341 183.6
[M]- 470.02451 183.6
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.