CID 3071632

N-(2-(7-methoxynaphth-1-yl)ethyl)pentanamide

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCCCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C18H23NO2/c1-3-4-8-18(20)19-12-11-15-7-5-6-14-9-10-16(21-2)13-17(14)15/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,19,20)
InChIKey
IDEFUAZXFAWDEB-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

285.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.0
[M+Na]+ 308.16210 174.9
[M-H]- 284.16560 172.9
[M+NH4]+ 303.20670 185.8
[M+K]+ 324.13604 171.0
[M+H-H2O]+ 268.17014 161.5
[M+HCOO]- 330.17108 191.1
[M+CH3COO]- 344.18673 206.4
[M+Na-2H]- 306.14755 173.3
[M]+ 285.17233 172.4
[M]- 285.17343 172.4
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