CID 9575375

Chembl71024

Structural Information

Molecular Formula
C15H13Cl2N3S
SMILES
C1=CC=C(C=C1)NC(=S)/N=C(/CC2=C(C=CC=C2Cl)Cl)\N
InChI
InChI=1S/C15H13Cl2N3S/c16-12-7-4-8-13(17)11(12)9-14(18)20-15(21)19-10-5-2-1-3-6-10/h1-8H,9H2,(H3,18,19,20,21)
InChIKey
YXPOTHXWJYTPRA-UHFFFAOYSA-N
Compound name
(1Z)-1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.02072 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02800 175.2
[M+Na]+ 360.00994 182.5
[M-H]- 336.01344 182.1
[M+NH4]+ 355.05454 190.3
[M+K]+ 375.98388 174.7
[M+H-H2O]+ 320.01798 169.1
[M+HCOO]- 382.01892 186.6
[M+CH3COO]- 396.03457 213.6
[M+Na-2H]- 357.99539 175.8
[M]+ 337.02017 177.2
[M]- 337.02127 177.2
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.