CID 100537

67026-82-8

Structural Information

Molecular Formula
C14H19N5S
SMILES
CCC(C)(C)N=C(NC1=CN=CC=C1)NC2=NC=CS2
InChI
InChI=1S/C14H19N5S/c1-4-14(2,3)19-12(18-13-16-8-9-20-13)17-11-6-5-7-15-10-11/h5-10H,4H2,1-3H3,(H2,16,17,18,19)
InChIKey
QFSDTQTUKIMXAD-UHFFFAOYSA-N
Compound name
2-(2-methylbutan-2-yl)-1-pyridin-3-yl-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14338 167.0
[M+Na]+ 312.12532 172.6
[M-H]- 288.12882 172.5
[M+NH4]+ 307.16992 182.0
[M+K]+ 328.09926 168.8
[M+H-H2O]+ 272.13336 157.8
[M+HCOO]- 334.13430 186.7
[M+CH3COO]- 348.14995 206.6
[M+Na-2H]- 310.11077 171.6
[M]+ 289.13555 167.9
[M]- 289.13665 167.9
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.