CID 738208

N-(naphthalen-1-ylcarbamothioyl)furan-2-carboxamide

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=S)NC(=O)C3=CC=CO3
InChI
InChI=1S/C16H12N2O2S/c19-15(14-9-4-10-20-14)18-16(21)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,17,18,19,21)
InChIKey
SRSFEWIHQTZZBK-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylcarbamothioyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.06195 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 166.5
[M+Na]+ 319.05117 174.5
[M-H]- 295.05467 175.4
[M+NH4]+ 314.09577 183.1
[M+K]+ 335.02511 170.6
[M+H-H2O]+ 279.05921 159.6
[M+HCOO]- 341.06015 187.2
[M+CH3COO]- 355.07580 178.7
[M+Na-2H]- 317.03662 171.2
[M]+ 296.06140 169.4
[M]- 296.06250 169.4
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