CID 3088603

2-guanidino-5-(n-cyclopentyl-carbamoyl)-4,5,6,7-tetrahydrothiazol(5,4-c)pyridine

Structural Information

Molecular Formula
C13H20N6OS
SMILES
C1CCC(C1)NC(=O)N2CCC3=C(C2)SC(=N3)N=C(N)N
InChI
InChI=1S/C13H20N6OS/c14-11(15)18-12-17-9-5-6-19(7-10(9)21-12)13(20)16-8-3-1-2-4-8/h8H,1-7H2,(H,16,20)(H4,14,15,17,18)
InChIKey
RNHOTVRMOXKBBZ-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.14194 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14922 166.7
[M+Na]+ 331.13116 170.4
[M+NH4]+ 326.17576 173.1
[M+K]+ 347.10510 169.0
[M-H]- 307.13466 169.5
[M+Na-2H]- 329.11661 168.8
[M]+ 308.14139 167.6
[M]- 308.14249 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe