CID 2735289

218457-67-1

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N
InChI
InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3
InChIKey
WHIWGRCYMQLLAO-UHFFFAOYSA-N
Compound name
6-(4-tert-butylphenoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

195
Patents

242.1419 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 157.4
[M+Na]+ 265.131118 165.1
[M-H]- 241.134624 162.7
[M+NH4]+ 260.175723 173.3
[M+K]+ 281.105058 161.4
[M+H-H2O]+ 225.139160 149.5
[M+HCOO]- 287.140101 179.2
[M+CH3COO]- 301.155751 195.9
[M+Na-2H]- 263.116566 163.6
[M]+ 242.14135142 157.3
[M]- 242.14244858 157.3
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