CID 15956115

Chembl202178

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC1=C(C=C(C=C1)NC2=CC=CC=N2)OCC=C(C)C
InChI
InChI=1S/C17H20N2O/c1-13(2)9-11-20-16-12-15(8-7-14(16)3)19-17-6-4-5-10-18-17/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKey
JJKQDFKMJLGNCC-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

268.15756 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.6
[M+Na]+ 291.14678 171.0
[M-H]- 267.15028 169.7
[M+NH4]+ 286.19138 179.4
[M+K]+ 307.12072 166.5
[M+H-H2O]+ 251.15482 155.7
[M+HCOO]- 313.15576 187.1
[M+CH3COO]- 327.17141 202.2
[M+Na-2H]- 289.13223 168.9
[M]+ 268.15701 165.3
[M]- 268.15811 165.3
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