CID 46781011

Chlorpheniramine n-oxide dihydrochloride

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
C[N+](C)(CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-]
InChI
InChI=1S/C16H19ClN2O/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKey
NMEICKDXQPVPKK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1186 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 166.3
[M+Na]+ 313.10782 172.0
[M-H]- 289.11132 170.7
[M+NH4]+ 308.15242 180.5
[M+K]+ 329.08176 162.4
[M+H-H2O]+ 273.11586 163.2
[M+HCOO]- 335.11680 182.9
[M+CH3COO]- 349.13245 196.5
[M+Na-2H]- 311.09327 173.8
[M]+ 290.11805 166.3
[M]- 290.11915 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.