CID 3071630

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

271.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.7
[M+Na]+ 294.14645 170.7
[M-H]- 270.14995 168.8
[M+NH4]+ 289.19105 181.9
[M+K]+ 310.12039 167.6
[M+H-H2O]+ 254.15449 157.5
[M+HCOO]- 316.15543 186.1
[M+CH3COO]- 330.17108 204.3
[M+Na-2H]- 292.13190 168.3
[M]+ 271.15668 167.1
[M]- 271.15778 167.1
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