CID 9575393

Chembl304303

Structural Information

Molecular Formula
C18H14Cl2N4S
SMILES
C1CC1(C2=C(C=CC=C2Cl)Cl)/C(=N/C(=S)NC3=CC=C(C=C3)C#N)/N
InChI
InChI=1S/C18H14Cl2N4S/c19-13-2-1-3-14(20)15(13)18(8-9-18)16(22)24-17(25)23-12-6-4-11(10-21)5-7-12/h1-7H,8-9H2,(H3,22,23,24,25)
InChIKey
QXVLKBNQOOUPFT-UHFFFAOYSA-N
Compound name
(1Z)-1-[amino-[1-(2,6-dichlorophenyl)cyclopropyl]methylidene]-3-(4-cyanophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.03162 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.03890 181.8
[M+Na]+ 411.02084 197.0
[M-H]- 387.02434 192.0
[M+NH4]+ 406.06544 192.8
[M+K]+ 426.99478 185.7
[M+H-H2O]+ 371.02888 173.3
[M+HCOO]- 433.02982 192.2
[M+CH3COO]- 447.04547 191.8
[M+Na-2H]- 409.00629 184.0
[M]+ 388.03107 182.9
[M]- 388.03217 182.9
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.