CID 4761

Pheniramine

Structural Information

Molecular Formula
C16H20N2
SMILES
CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKey
IJHNSHDBIRRJRN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

331
References

17424
Patents

240.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 157.6
[M+Na]+ 263.15186 162.3
[M-H]- 239.15536 163.5
[M+NH4]+ 258.19646 173.6
[M+K]+ 279.12580 159.5
[M+H-H2O]+ 223.15990 148.4
[M+HCOO]- 285.16084 180.5
[M+CH3COO]- 299.17649 199.8
[M+Na-2H]- 261.13731 163.2
[M]+ 240.16209 157.7
[M]- 240.16319 157.7
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