CID 6449684

Brn 4597894

Structural Information

Molecular Formula
C25H20ClN3O3
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)CCNC3=CC=CC=C3Cl)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C25H20ClN3O3/c26-19-11-5-6-12-20(19)27-15-14-23-28-21(16-17-8-2-1-3-9-17)24(30)29(23)22-13-7-4-10-18(22)25(31)32/h1-13,16,27H,14-15H2,(H,31,32)/b21-16+
InChIKey
IIUUTTLFHDQFJZ-LTGZKZEYSA-N
Compound name
2-[(4E)-4-benzylidene-2-[2-(2-chloroanilino)ethyl]-5-oxoimidazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.11932 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.12660 208.4
[M+Na]+ 468.10854 223.6
[M+NH4]+ 463.15314 214.2
[M+K]+ 484.08248 216.4
[M-H]- 444.11204 214.7
[M+Na-2H]- 466.09399 217.5
[M]+ 445.11877 212.5
[M]- 445.11987 212.5
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.