CID 1011440

N-(4-fluorophenyl)-2-(3-hydroxy-2-naphthoyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C18H14FN3O2S
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H14FN3O2S/c19-13-5-7-14(8-6-13)20-18(25)22-21-17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,(H,21,24)(H2,20,22,25)
InChIKey
LZDIJVPTHXNMRB-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.07907 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08635 176.6
[M+Na]+ 378.06829 182.6
[M-H]- 354.07179 181.3
[M+NH4]+ 373.11289 189.2
[M+K]+ 394.04223 176.2
[M+H-H2O]+ 338.07633 167.6
[M+HCOO]- 400.07727 193.4
[M+CH3COO]- 414.09292 216.2
[M+Na-2H]- 376.05374 180.3
[M]+ 355.07852 174.5
[M]- 355.07962 174.5
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.