CID 3003301

4-cyano-n-(1-naphthylcarbamothioyl)benzamide

Structural Information

Molecular Formula
C19H13N3OS
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H13N3OS/c20-12-13-8-10-15(11-9-13)18(23)22-19(24)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,(H2,21,22,23,24)
InChIKey
MHSSZGCOOPXMEJ-UHFFFAOYSA-N
Compound name
4-cyano-N-(naphthalen-1-ylcarbamothioyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07794 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08522 189.6
[M+Na]+ 354.06716 198.7
[M-H]- 330.07066 195.3
[M+NH4]+ 349.11176 202.4
[M+K]+ 370.04110 190.3
[M+H-H2O]+ 314.07520 175.3
[M+HCOO]- 376.07614 203.6
[M+CH3COO]- 390.09179 197.7
[M+Na-2H]- 352.05261 191.6
[M]+ 331.07739 184.0
[M]- 331.07849 184.0
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

No patent data available for this compound.