CID 3064860

105892-06-6

Structural Information

Molecular Formula
C18H23Cl2N2O
SMILES
C[N+](C)(CC1=CC=CC=C1Cl)CC(CNC2=CC=CC=C2Cl)O
InChI
InChI=1S/C18H23Cl2N2O/c1-22(2,12-14-7-3-4-8-16(14)19)13-15(23)11-21-18-10-6-5-9-17(18)20/h3-10,15,21,23H,11-13H2,1-2H3/q+1
InChIKey
OONHIVVWTCZCMJ-UHFFFAOYSA-N
Compound name
[3-(2-chloroanilino)-2-hydroxypropyl]-[(2-chlorophenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11874 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12602 182.1
[M+Na]+ 376.10796 187.6
[M-H]- 352.11146 187.4
[M+NH4]+ 371.15256 195.6
[M+K]+ 392.08190 175.7
[M+H-H2O]+ 336.11600 178.3
[M+HCOO]- 398.11694 194.4
[M+CH3COO]- 412.13259 210.3
[M+Na-2H]- 374.09341 187.5
[M]+ 353.11819 184.2
[M]- 353.11929 184.2
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.