CID 3077633

2,3-dihydro-n-(2,6-dichlorophenyl)-2-imino-3-methyl-1h-benzimidazole-1-acetamide hcl

Structural Information

Molecular Formula
C16H14Cl2N4O
SMILES
CN1C2=CC=CC=C2N(C1=N)CC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H14Cl2N4O/c1-21-12-7-2-3-8-13(12)22(16(21)19)9-14(23)20-15-10(17)5-4-6-11(15)18/h2-8,19H,9H2,1H3,(H,20,23)
InChIKey
WYQOUQWAOZXVKM-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.05447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06175 179.2
[M+Na]+ 371.04369 191.2
[M-H]- 347.04719 184.7
[M+NH4]+ 366.08829 193.9
[M+K]+ 387.01763 183.1
[M+H-H2O]+ 331.05173 171.3
[M+HCOO]- 393.05267 193.8
[M+CH3COO]- 407.06832 190.4
[M+Na-2H]- 369.02914 182.2
[M]+ 348.05392 184.4
[M]- 348.05502 184.4
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.