CID 118359

Einecs 251-290-2

Structural Information

Molecular Formula
C16H23ClN3O
SMILES
CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCN3CCOCC3)C
InChI
InChI=1S/C16H23ClN3O/c1-3-19-13(2)20(7-6-18-8-10-21-11-9-18)16-12-14(17)4-5-15(16)19/h4-5,12H,3,6-11H2,1-2H3/q+1
InChIKey
LTYQJEGCSDMKAG-UHFFFAOYSA-N
Compound name
4-[2-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15295 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16023 175.4
[M+Na]+ 331.14217 184.3
[M-H]- 307.14567 179.3
[M+NH4]+ 326.18677 188.5
[M+K]+ 347.11611 173.9
[M+H-H2O]+ 291.15021 168.6
[M+HCOO]- 353.15115 186.7
[M+CH3COO]- 367.16680 198.1
[M+Na-2H]- 329.12762 179.6
[M]+ 308.15240 177.4
[M]- 308.15350 177.4
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.