CID 118357

Einecs 251-289-7

Structural Information

Molecular Formula
C16H24Cl2N3
SMILES
CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCN(CC)CC)C
InChI
InChI=1S/C16H24Cl2N3/c1-5-19(6-2)8-9-21-12(4)20(7-3)15-10-13(17)14(18)11-16(15)21/h10-11H,5-9H2,1-4H3/q+1
InChIKey
HLUADCYYOUOJRX-UHFFFAOYSA-N
Compound name
2-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14202 178.7
[M+Na]+ 351.12396 189.6
[M-H]- 327.12746 181.5
[M+NH4]+ 346.16856 195.4
[M+K]+ 367.09790 178.1
[M+H-H2O]+ 311.13200 174.2
[M+HCOO]- 373.13294 191.3
[M+CH3COO]- 387.14859 210.0
[M+Na-2H]- 349.10941 181.5
[M]+ 328.13419 186.7
[M]- 328.13529 186.7
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.