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]+ 290.143376 167.0
[M+Na]+ 312.125318 172.6
[M-H]- 288.128824 172.5
[M+NH4]+ 307.169923 182.0
[M+K]+ 328.099258 168.8
[M+H-H2O]+ 272.133360 157.8
[M+HCOO]- 334.134301 186.7
[M+CH3COO]- 348.149951 206.6
[M+Na-2H]- 310.110766 171.6
[M]+ 289.13555142 167.9
[M]- 289.13664858 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.