CID 51524

1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)guanidine dinitrate

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-methyl-4-pyridinyl)-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]+ 290.143376 168.2
[M+Na]+ 312.125318 174.8
[M-H]- 288.128824 174.1
[M+NH4]+ 307.169923 183.6
[M+K]+ 328.099258 170.9
[M+H-H2O]+ 272.133360 159.3
[M+HCOO]- 334.134301 187.9
[M+CH3COO]- 348.149951 207.1
[M+Na-2H]- 310.110766 171.9
[M]+ 289.13555142 169.4
[M]- 289.13664858 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.