CID 3037470

Schembl8805817

Structural Information

Molecular Formula
C8H9ClN4O2S
SMILES
C1CN(/C(=C\[N+](=O)[O-])/N1)CC2=CN=C(S2)Cl
InChI
InChI=1S/C8H9ClN4O2S/c9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15/h3,5,10H,1-2,4H2/b7-5-
InChIKey
XKVCBURYVNLQRB-ALCCZGGFSA-N
Compound name
2-chloro-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

260.0135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02078 151.3
[M+Na]+ 283.00272 161.8
[M+NH4]+ 278.04732 158.3
[M+K]+ 298.97666 160.5
[M-H]- 259.00622 152.8
[M+Na-2H]- 280.98817 154.7
[M]+ 260.01295 153.4
[M]- 260.01405 153.4
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