CID 71057

1,4-cyclohexanebis(methylamine), n,n'-bis(2-thienylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H26N2S2
SMILES
C1CC(CCC1CNCC2=CC=CS2)CNCC3=CC=CS3
InChI
InChI=1S/C18H26N2S2/c1-3-17(21-9-1)13-19-11-15-5-7-16(8-6-15)12-20-14-18-4-2-10-22-18/h1-4,9-10,15-16,19-20H,5-8,11-14H2
InChIKey
BGKGENHVQNVRCZ-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)-1-[4-[(thiophen-2-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.15375 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16103 174.9
[M+Na]+ 357.14297 180.2
[M-H]- 333.14647 183.8
[M+NH4]+ 352.18757 192.6
[M+K]+ 373.11691 173.8
[M+H-H2O]+ 317.15101 168.0
[M+HCOO]- 379.15195 190.1
[M+CH3COO]- 393.16760 185.2
[M+Na-2H]- 355.12842 173.0
[M]+ 334.15320 175.0
[M]- 334.15430 175.0
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

patents stripe