CID 3062339

2-guanidino-5-(n-isopropyl-thiocarbamoyl)-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridine

Structural Information

Molecular Formula
C11H18N6S2
SMILES
CC(C)NC(=S)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C11H18N6S2/c1-6(2)14-11(18)17-4-3-7-8(5-17)19-10(15-7)16-9(12)13/h6H,3-5H2,1-2H3,(H,14,18)(H4,12,13,15,16)
InChIKey
ZCBZWGQVGHFAOB-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-N-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

298.10342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11070 162.3
[M+Na]+ 321.09264 167.4
[M-H]- 297.09614 163.6
[M+NH4]+ 316.13724 177.5
[M+K]+ 337.06658 162.9
[M+H-H2O]+ 281.10068 155.1
[M+HCOO]- 343.10162 171.8
[M+CH3COO]- 357.11727 211.5
[M+Na-2H]- 319.07809 161.3
[M]+ 298.10287 158.8
[M]- 298.10397 158.8
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