CID 3072208

Brn 4883848

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CCOC1=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)Cl
InChI
InChI=1S/C20H21ClN2O3/c1-3-26-16-7-4-14(5-8-16)11-19-22-17-12-15(21)6-9-18(17)23(19)13(2)10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)
InChIKey
ROVIZWJYQYAZBG-UHFFFAOYSA-N
Compound name
3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 187.2
[M+Na]+ 395.11330 196.6
[M-H]- 371.11680 191.4
[M+NH4]+ 390.15790 199.9
[M+K]+ 411.08724 190.2
[M+H-H2O]+ 355.12134 178.7
[M+HCOO]- 417.12228 201.4
[M+CH3COO]- 431.13793 215.2
[M+Na-2H]- 393.09875 187.4
[M]+ 372.12353 194.6
[M]- 372.12463 194.6
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.