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

25
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 165.8
[M+Na]+ 315.13622 173.8
[M-H]- 291.13972 169.6
[M+NH4]+ 310.18082 180.9
[M+K]+ 331.11016 169.0
[M+H-H2O]+ 275.14426 156.7
[M+HCOO]- 337.14520 186.3
[M+CH3COO]- 351.16085 206.0
[M+Na-2H]- 313.12167 165.8
[M]+ 292.14645 167.9
[M]- 292.14755 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

patents stripe