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 172.6
[M+Na]+ 358.02099 179.0
[M-H]- 334.02449 179.6
[M+NH4]+ 353.06559 187.2
[M+K]+ 373.99493 171.4
[M+H-H2O]+ 318.02903 165.8
[M+HCOO]- 380.02997 182.0
[M+CH3COO]- 394.04562 214.5
[M+Na-2H]- 356.00644 172.0
[M]+ 335.03122 173.3
[M]- 335.03232 173.3
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.