CID 21080

4979-32-2

Structural Information

Molecular Formula
C19H26N2S2
SMILES
C1CCC(CC1)N(C2CCCCC2)SC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
InChIKey
CMAUJSNXENPPOF-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

9882
Patents

346.15375 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16103 175.6
[M+Na]+ 369.14297 179.5
[M-H]- 345.14647 183.8
[M+NH4]+ 364.18757 190.9
[M+K]+ 385.11691 174.1
[M+H-H2O]+ 329.15101 167.7
[M+HCOO]- 391.15195 183.7
[M+CH3COO]- 405.16760 184.5
[M+Na-2H]- 367.12842 174.7
[M]+ 346.15320 172.0
[M]- 346.15430 172.0
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