CID 3055125

Brn 5572433

Structural Information

Molecular Formula
C11H15N5S2
SMILES
CC(C)(C)N=C(NC1=NC=CS1)NC2=NC=CS2
InChI
InChI=1S/C11H15N5S2/c1-11(2,3)16-8(14-9-12-4-6-17-9)15-10-13-5-7-18-10/h4-7H,1-3H3,(H2,12,13,14,15,16)
InChIKey
PFSBDLPLNDNMTH-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-bis(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.07687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08415 162.6
[M+Na]+ 304.06609 171.4
[M-H]- 280.06959 169.2
[M+NH4]+ 299.11069 180.5
[M+K]+ 320.04003 167.5
[M+H-H2O]+ 264.07413 155.0
[M+HCOO]- 326.07507 180.0
[M+CH3COO]- 340.09072 201.4
[M+Na-2H]- 302.05154 165.1
[M]+ 281.07632 165.8
[M]- 281.07742 165.8
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

No patent data available for this compound.