CID 3055127

72041-79-3

Structural Information

Molecular Formula
C13H17N5S
SMILES
CC(C)(C)N=C(NC1=CC=CC=N1)NC2=NC=CS2
InChI
InChI=1S/C13H17N5S/c1-13(2,3)18-11(17-12-15-8-9-19-12)16-10-6-4-5-7-14-10/h4-9H,1-3H3,(H2,14,15,16,17,18)
InChIKey
KRXMBGHVQDTDOF-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-pyridin-2-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12773 163.1
[M+Na]+ 298.10967 169.3
[M-H]- 274.11317 168.8
[M+NH4]+ 293.15427 178.7
[M+K]+ 314.08361 165.7
[M+H-H2O]+ 258.11771 154.2
[M+HCOO]- 320.11865 183.2
[M+CH3COO]- 334.13430 202.9
[M+Na-2H]- 296.09512 168.1
[M]+ 275.11990 163.6
[M]- 275.12100 163.6
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.