CID 14076877

O-desmethyl pyrilamine

Structural Information

Molecular Formula
C16H21N3O
SMILES
CN(C)CCN(CC1=CC=C(C=C1)O)C2=CC=CC=N2
InChI
InChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3
InChIKey
FCFBHFOEKQWQBR-UHFFFAOYSA-N
Compound name
4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 165.2
[M+Na]+ 294.15768 177.7
[M+NH4]+ 289.20228 173.2
[M+K]+ 310.13162 170.5
[M-H]- 270.16118 170.5
[M+Na-2H]- 292.14313 174.5
[M]+ 271.16791 168.4
[M]- 271.16901 168.4
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.