CID 3072207

Brn 4881782

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
CC(CC(=O)O)N1C2=C(C=C(C=C2)Cl)N=C1CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c1-11(8-18(23)24)22-16-7-6-14(20)10-15(16)21-17(22)9-12-2-4-13(19)5-3-12/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKey
QCVDXVMPFWBDEN-UHFFFAOYSA-N
Compound name
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 181.0
[M+Na]+ 385.04809 197.2
[M+NH4]+ 380.09269 188.7
[M+K]+ 401.02203 190.5
[M-H]- 361.05159 183.8
[M+Na-2H]- 383.03354 187.8
[M]+ 362.05832 184.8
[M]- 362.05942 184.8
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.