CID 720872

2-(1-naphthoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C18H15N3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H15N3OS/c22-17(16-12-6-8-13-7-4-5-11-15(13)16)20-21-18(23)19-14-9-2-1-3-10-14/h1-12H,(H,20,22)(H2,19,21,23)
InChIKey
VPCPYVYNTCKWEG-UHFFFAOYSA-N
Compound name
1-(naphthalene-1-carbonylamino)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10088 170.2
[M+Na]+ 344.08282 175.3
[M-H]- 320.08632 177.1
[M+NH4]+ 339.12742 184.6
[M+K]+ 360.05676 169.3
[M+H-H2O]+ 304.09086 161.9
[M+HCOO]- 366.09180 189.5
[M+CH3COO]- 380.10745 180.3
[M+Na-2H]- 342.06827 176.1
[M]+ 321.09305 168.7
[M]- 321.09415 168.7
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.