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 180.4
[M+Na]+ 385.04809 191.2
[M-H]- 361.05159 184.1
[M+NH4]+ 380.09269 194.1
[M+K]+ 401.02203 183.5
[M+H-H2O]+ 345.05613 172.8
[M+HCOO]- 407.05707 190.0
[M+CH3COO]- 421.07272 190.8
[M+Na-2H]- 383.03354 180.8
[M]+ 362.05832 186.9
[M]- 362.05942 186.9
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.