CID 12979347

135018-15-4

Structural Information

Molecular Formula
C5H6ClN5O2S
SMILES
C1=C(SC(=N1)Cl)CN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C5H6ClN5O2S/c6-4-8-1-3(14-4)2-9-5(7)10-11(12)13/h1H,2H2,(H3,7,9,10)
InChIKey
ZTLCLYBKONTDBT-UHFFFAOYSA-N
Compound name
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

17
Patents

234.99307 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.000346 143.8
[M+Na]+ 257.982288 150.3
[M-H]- 233.985794 147.2
[M+NH4]+ 253.026893 161.6
[M+K]+ 273.956228 143.2
[M+H-H2O]+ 217.990330 141.7
[M+HCOO]- 279.991271 162.9
[M+CH3COO]- 294.006921 186.8
[M+Na-2H]- 255.967736 148.7
[M]+ 234.99252142 142.8
[M]- 234.99361858 142.8
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