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 168.2
[M+Na]+ 312.12532 174.8
[M-H]- 288.12882 174.1
[M+NH4]+ 307.16992 183.6
[M+K]+ 328.09926 170.9
[M+H-H2O]+ 272.13336 159.3
[M+HCOO]- 334.13430 187.9
[M+CH3COO]- 348.14995 207.1
[M+Na-2H]- 310.11077 171.9
[M]+ 289.13555 169.4
[M]- 289.13665 169.4
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.