CID 3035905

Thioperamide

Structural Information

Molecular Formula
C15H24N4S
SMILES
C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3
InChI
InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKey
QKDDJDBFONZGBW-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

660
References

3914
Patents

292.17218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17946 169.0
[M+Na]+ 315.16140 171.0
[M-H]- 291.16490 171.6
[M+NH4]+ 310.20600 181.0
[M+K]+ 331.13534 165.6
[M+H-H2O]+ 275.16944 159.5
[M+HCOO]- 337.17038 176.7
[M+CH3COO]- 351.18603 176.3
[M+Na-2H]- 313.14685 165.9
[M]+ 292.17163 158.8
[M]- 292.17273 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe