CID 3044729

Brn 2665348

Structural Information

Molecular Formula
C15H14ClN3S2
SMILES
CC1=CC=C(C=C1)NC(=S)N(C2=CC=C(C=C2)Cl)C(=S)N
InChI
InChI=1S/C15H14ClN3S2/c1-10-2-6-12(7-3-10)18-15(21)19(14(17)20)13-8-4-11(16)5-9-13/h2-9H,1H3,(H2,17,20)(H,18,21)
InChIKey
QEEQDALUCLNYHK-UHFFFAOYSA-N
Compound name
1-carbamothioyl-1-(4-chlorophenyl)-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.03177 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03905 172.7
[M+Na]+ 358.02099 183.8
[M+NH4]+ 353.06559 181.5
[M+K]+ 373.99493 173.2
[M-H]- 334.02449 178.8
[M+Na-2H]- 356.00644 180.4
[M]+ 335.03122 177.1
[M]- 335.03232 177.1
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.