CID 25065981

1226895-20-0

Structural Information

Molecular Formula
C21H19NO3S
SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N
InChI
InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)
InChIKey
YCNMAPLPQYQJFC-UHFFFAOYSA-N
Compound name
(4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

408
Patents

365.10855 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11583 183.7
[M+Na]+ 388.09777 196.6
[M+NH4]+ 383.14237 191.4
[M+K]+ 404.07171 187.8
[M-H]- 364.10127 188.5
[M+Na-2H]- 386.08322 190.8
[M]+ 365.10800 187.4
[M]- 365.10910 187.4
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