CID 139595061

Napropamide isomer 2

Structural Information

Molecular Formula
C17H21NO2
SMILES
CCN(CC)C(=O)CC1=C(C2=CC=CC=C2C(=C1)O)C
InChI
InChI=1S/C17H21NO2/c1-4-18(5-2)17(20)11-13-10-16(19)15-9-7-6-8-14(15)12(13)3/h6-10,19H,4-5,11H2,1-3H3
InChIKey
GHESTCWWALVJKW-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.3
[M+Na]+ 294.146448 171.3
[M-H]- 270.149954 168.9
[M+NH4]+ 289.191053 181.9
[M+K]+ 310.120388 168.3
[M+H-H2O]+ 254.154490 157.4
[M+HCOO]- 316.155431 185.7
[M+CH3COO]- 330.171081 205.5
[M+Na-2H]- 292.131896 167.3
[M]+ 271.15668142 167.1
[M]- 271.15777858 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

No patent data available for this compound.