CID 3539646

S-[(2-guanidino-4-thiazoyl)methyl] isothiourea hydrochloride

Structural Information

Molecular Formula
C5H10N6S2
SMILES
C1=C(N=C(S1)N=C(N)N)CS(=N)N
InChI
InChI=1S/C5H10N6S2/c6-4(7)11-5-10-3(1-12-5)2-13(8)9/h1H,2H2,(H3,8,9)(H4,6,7,10,11)
InChIKey
FOCIEJULSRSNBJ-UHFFFAOYSA-N
Compound name
2-[4-[(aminosulfinimidoyl)methyl]-1,3-thiazol-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.04083 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04811 139.6
[M+Na]+ 241.03005 146.0
[M-H]- 217.03355 141.7
[M+NH4]+ 236.07465 157.1
[M+K]+ 257.00399 141.5
[M+H-H2O]+ 201.03809 131.5
[M+HCOO]- 263.03903 155.7
[M+CH3COO]- 277.05468 197.0
[M+Na-2H]- 239.01550 140.0
[M]+ 218.04028 135.0
[M]- 218.04138 135.0
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