CID 14076877

57830-29-2

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 164.7
[M+Na]+ 294.15768 169.3
[M-H]- 270.16118 170.9
[M+NH4]+ 289.20228 179.2
[M+K]+ 310.13162 167.1
[M+H-H2O]+ 254.16572 155.1
[M+HCOO]- 316.16666 188.8
[M+CH3COO]- 330.18231 207.9
[M+Na-2H]- 292.14313 169.9
[M]+ 271.16791 165.9
[M]- 271.16901 165.9
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.