CID 51524

72041-85-1

Structural Information

Molecular Formula
C14H19N5S
SMILES
CC1=NC=CC(=C1)NC(=NC(C)(C)C)NC2=NC=CS2
InChI
InChI=1S/C14H19N5S/c1-10-9-11(5-6-15-10)17-12(19-14(2,3)4)18-13-16-7-8-20-13/h5-9H,1-4H3,(H2,15,16,17,18,19)
InChIKey
ZXPAEVDDRPLXIK-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-(2-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14338 167.8
[M+Na]+ 312.12532 177.1
[M+NH4]+ 307.16992 174.9
[M+K]+ 328.09926 171.3
[M-H]- 288.12882 171.6
[M+Na-2H]- 310.11077 175.0
[M]+ 289.13555 170.4
[M]- 289.13665 170.4
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.