CID 3071652

138112-99-9

Structural Information

Molecular Formula
C17H21NO2
SMILES
CCCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)
InChIKey
OLBZALDKGALNQC-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

35
Patents

271.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.4
[M+Na]+ 294.14645 170.7
[M-H]- 270.14995 168.4
[M+NH4]+ 289.19105 181.7
[M+K]+ 310.12039 167.0
[M+H-H2O]+ 254.15449 157.0
[M+HCOO]- 316.15543 186.8
[M+CH3COO]- 330.17108 203.4
[M+Na-2H]- 292.13190 169.2
[M]+ 271.15668 167.3
[M]- 271.15778 167.3
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