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

6
Patents

311.098 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.105276 171.6
[M+Na]+ 334.087218 180.2
[M-H]- 310.090724 179.9
[M+NH4]+ 329.131823 189.6
[M+K]+ 350.061158 175.0
[M+H-H2O]+ 294.095260 164.5
[M+HCOO]- 356.096201 192.4
[M+CH3COO]- 370.111851 183.8
[M+Na-2H]- 332.072666 174.4
[M]+ 311.09745142 177.2
[M]- 311.09854858 177.2
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