CID 49777713

2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methoxy-aniline

Structural Information

Molecular Formula
C14H11Cl2N3O
SMILES
COC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC(=C3Cl)Cl)N
InChI
InChI=1S/C14H11Cl2N3O/c1-20-7-2-3-8(10(17)6-7)14-18-11-5-4-9(15)12(16)13(11)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKey
ITCMDUSGILFDRC-UHFFFAOYSA-N
Compound name
2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.02792 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03520 166.6
[M+Na]+ 330.01714 179.8
[M-H]- 306.02064 170.4
[M+NH4]+ 325.06174 182.5
[M+K]+ 345.99108 171.5
[M+H-H2O]+ 290.02518 159.5
[M+HCOO]- 352.02612 179.4
[M+CH3COO]- 366.04177 178.5
[M+Na-2H]- 328.00259 169.9
[M]+ 307.02737 170.9
[M]- 307.02847 170.9
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.