CID 720773

2-(2,4-dichlorobenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C14H11Cl2N3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3OS/c15-9-6-7-11(12(16)8-9)13(20)18-19-14(21)17-10-4-2-1-3-5-10/h1-8H,(H,18,20)(H2,17,19,21)
InChIKey
PXWIEFCWWVDFBP-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorobenzoyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00728 175.2
[M+Na]+ 361.98922 187.6
[M+NH4]+ 357.03382 183.4
[M+K]+ 377.96316 177.7
[M-H]- 337.99272 180.4
[M+Na-2H]- 359.97467 183.2
[M]+ 338.99945 179.3
[M]- 339.00055 179.3
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.