CID 11499709

85583-40-0

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)N
InChI
InChI=1S/C15H18N2O/c1-2-12-3-6-14(17-11-12)9-10-18-15-7-4-13(16)5-8-15/h3-8,11H,2,9-10,16H2,1H3
InChIKey
IDEJJBCHUQNLIB-UHFFFAOYSA-N
Compound name
4-[2-(5-ethyl-2-pyridinyl)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

242.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.5
[M+Na]+ 265.131118 163.7
[M-H]- 241.134624 161.3
[M+NH4]+ 260.175723 172.2
[M+K]+ 281.105058 159.4
[M+H-H2O]+ 225.139160 147.9
[M+HCOO]- 287.140101 179.9
[M+CH3COO]- 301.155751 196.2
[M+Na-2H]- 263.116566 162.1
[M]+ 242.14135142 156.9
[M]- 242.14244858 156.9
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

patents stripe