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 176.3
[M+Na]+ 396.10357 190.2
[M-H]- 372.10707 185.6
[M+NH4]+ 391.14817 192.4
[M+K]+ 412.07751 187.3
[M+H-H2O]+ 356.11161 170.8
[M+HCOO]- 418.11255 190.2
[M+CH3COO]- 432.12820 188.5
[M+Na-2H]- 394.08902 173.3
[M]+ 373.11380 184.9
[M]- 373.11490 184.9
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.