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]+ 272.16451 164.3
[M+Na]+ 294.14645 171.3
[M-H]- 270.14995 168.9
[M+NH4]+ 289.19105 181.9
[M+K]+ 310.12039 168.3
[M+H-H2O]+ 254.15449 157.4
[M+HCOO]- 316.15543 185.7
[M+CH3COO]- 330.17108 205.5
[M+Na-2H]- 292.13190 167.3
[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

No patent data available for this compound.