CID 6852539

Nsc665994

Structural Information

Molecular Formula
C20H30N4S
SMILES
C/C(=N\NC(=S)N(C1CCCCC1)C2CCCCC2)/C3=CC=CC=N3
InChI
InChI=1S/C20H30N4S/c1-16(19-14-8-9-15-21-19)22-23-20(25)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13H2,1H3,(H,23,25)/b22-16+
InChIKey
TZDLXIULDQYLEX-CJLVFECKSA-N
Compound name
1,1-dicyclohexyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.21912 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22640 184.5
[M+Na]+ 381.20834 182.2
[M-H]- 357.21184 192.0
[M+NH4]+ 376.25294 195.1
[M+K]+ 397.18228 178.5
[M+H-H2O]+ 341.21638 173.6
[M+HCOO]- 403.21732 196.6
[M+CH3COO]- 417.23297 223.0
[M+Na-2H]- 379.19379 183.3
[M]+ 358.21857 175.6
[M]- 358.21967 175.6
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.