CID 6435580

100067-42-3

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)N1C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H19N3O3/c1-13-21-18(12-14-4-8-16(9-5-14)22(2)3)19(24)23(13)17-10-6-15(7-11-17)20(25)26/h4-12H,1-3H3,(H,25,26)/b18-12-
InChIKey
CUXBHOBFUMCXSB-PDGQHHTCSA-N
Compound name
4-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 182.7
[M+Na]+ 372.131858 190.4
[M-H]- 348.135364 190.7
[M+NH4]+ 367.176463 194.4
[M+K]+ 388.105798 185.7
[M+H-H2O]+ 332.139900 173.0
[M+HCOO]- 394.140841 203.2
[M+CH3COO]- 408.156491 217.3
[M+Na-2H]- 370.117306 181.2
[M]+ 349.14209142 183.8
[M]- 349.14318858 183.8
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.