CID 3319810

1-naphthalenecarbothioamide, n-phenyl-

Structural Information

Molecular Formula
C17H13NS
SMILES
C1=CC=C(C=C1)NC(=S)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H13NS/c19-17(18-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H,18,19)
InChIKey
PFHOWPNCQNOHIV-UHFFFAOYSA-N
Compound name
N-phenylnaphthalene-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07687 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08415 156.7
[M+Na]+ 286.06609 164.2
[M-H]- 262.06959 164.1
[M+NH4]+ 281.11069 174.4
[M+K]+ 302.04003 157.8
[M+H-H2O]+ 246.07413 149.3
[M+HCOO]- 308.07507 175.2
[M+CH3COO]- 322.09072 168.7
[M+Na-2H]- 284.05154 162.5
[M]+ 263.07632 156.3
[M]- 263.07742 156.3
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

No patent data available for this compound.