CID 161283

N-desmethylpheniramine

Structural Information

Molecular Formula
C15H18N2
SMILES
CNCCC(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C15H18N2/c1-16-12-10-14(13-7-3-2-4-8-13)15-9-5-6-11-17-15/h2-9,11,14,16H,10,12H2,1H3
InChIKey
GDCVFNAQLOMGMS-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

13
Patents

226.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 152.7
[M+Na]+ 249.13622 157.8
[M-H]- 225.13972 157.3
[M+NH4]+ 244.18082 168.6
[M+K]+ 265.11016 153.7
[M+H-H2O]+ 209.14426 144.0
[M+HCOO]- 271.14520 175.5
[M+CH3COO]- 285.16085 193.4
[M+Na-2H]- 247.12167 159.7
[M]+ 226.14645 151.3
[M]- 226.14755 151.3
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

patents stripe