CID 3071631

Propanamide, n-(2-(7-methoxy-1-naphthalenyl)ethyl)-

Structural Information

Molecular Formula
C16H19NO2
SMILES
CCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
InChIKey
AGFPIMUSQHDOJP-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

156
Patents

257.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.7
[M+Na]+ 280.13079 166.4
[M-H]- 256.13429 164.0
[M+NH4]+ 275.17539 177.6
[M+K]+ 296.10473 163.0
[M+H-H2O]+ 240.13883 152.6
[M+HCOO]- 302.13977 182.4
[M+CH3COO]- 316.15542 200.4
[M+Na-2H]- 278.11624 165.1
[M]+ 257.14102 162.3
[M]- 257.14212 162.3
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