CID 127772

101189-47-3

Structural Information

Molecular Formula
C13H20N6S
SMILES
CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C
InChI
InChI=1S/C13H20N6S/c1-3-4-5-6-15-12(14)19-13-18-11(8-20-13)10-7-16-9(2)17-10/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,14,15,18,19)
InChIKey
OZSXWXGDJLBJQO-UHFFFAOYSA-N
Compound name
1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

292.147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15428 166.8
[M+Na]+ 315.13622 174.8
[M+NH4]+ 310.18082 172.6
[M+K]+ 331.11016 171.3
[M-H]- 291.13972 169.1
[M+Na-2H]- 313.12167 171.7
[M]+ 292.14645 168.5
[M]- 292.14755 168.5
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

patents stripe