CID 3074997

Thiazolo(3,2-b)(1,2,4)triazole-6-methanamine, n-cyclohexyl-n-(thiazolo(3,2-b)(1,2,4)triazol-6-ylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H19N7S2
SMILES
C1CCC(CC1)N(CC2=CSC3=NC=NN23)CC4=CSC5=NC=NN45
InChI
InChI=1S/C16H19N7S2/c1-2-4-12(5-3-1)21(6-13-8-24-15-17-10-19-22(13)15)7-14-9-25-16-18-11-20-23(14)16/h8-12H,1-7H2
InChIKey
CLRHOMBHQNOZAA-UHFFFAOYSA-N
Compound name
N,N-bis([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12163 172.2
[M+Na]+ 396.10357 184.6
[M+NH4]+ 391.14817 180.6
[M+K]+ 412.07751 181.7
[M-H]- 372.10707 176.6
[M+Na-2H]- 394.08902 179.2
[M]+ 373.11380 176.1
[M]- 373.11490 176.1
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.