CID 3071645

138112-93-3

Structural Information

Molecular Formula
C18H17NO2S
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)C3=CC=CS3)C=C1
InChI
InChI=1S/C18H17NO2S/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-10-19-18(20)17-6-3-11-22-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKey
OFUZDXITYPNLHS-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

311.098 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10528 170.8
[M+Na]+ 334.08722 184.5
[M+NH4]+ 329.13182 180.1
[M+K]+ 350.06116 175.8
[M-H]- 310.09072 176.3
[M+Na-2H]- 332.07267 179.2
[M]+ 311.09745 174.9
[M]- 311.09855 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe