CID 3059615

Piperidine, 1-(4-((((4-chlorophenyl)amino)thioxomethyl)amino)benzoyl)-

Structural Information

Molecular Formula
C19H20ClN3OS
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3OS/c20-15-6-10-17(11-7-15)22-19(25)21-16-8-4-14(5-9-16)18(24)23-12-2-1-3-13-23/h4-11H,1-3,12-13H2,(H2,21,22,25)
InChIKey
PUTXZAFKLFEBDA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10884 185.1
[M+Na]+ 396.09078 189.0
[M-H]- 372.09428 192.1
[M+NH4]+ 391.13538 196.0
[M+K]+ 412.06472 181.7
[M+H-H2O]+ 356.09882 176.3
[M+HCOO]- 418.09976 194.7
[M+CH3COO]- 432.11541 193.2
[M+Na-2H]- 394.07623 185.0
[M]+ 373.10101 182.3
[M]- 373.10211 182.3
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.