CID 674716

4-cyclohexyl-1-phenyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C13H19N3S
SMILES
C1CCC(CC1)NC(=S)NNC2=CC=CC=C2
InChI
InChI=1S/C13H19N3S/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h2,5-6,9-11,15H,1,3-4,7-8H2,(H2,14,16,17)
InChIKey
DCFLHKOWKJTAAZ-UHFFFAOYSA-N
Compound name
1-anilino-3-cyclohexylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12997 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13725 153.7
[M+Na]+ 272.11919 155.6
[M-H]- 248.12269 158.7
[M+NH4]+ 267.16379 169.7
[M+K]+ 288.09313 151.1
[M+H-H2O]+ 232.12723 145.7
[M+HCOO]- 294.12817 171.0
[M+CH3COO]- 308.14382 197.3
[M+Na-2H]- 270.10464 157.1
[M]+ 249.12942 146.8
[M]- 249.13052 146.8
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