CID 3039485

2,4-diamino-5-(o-nitrophenyl)thiazole hydrochloride

Structural Information

Molecular Formula
C9H8N4O2S
SMILES
C1=CC=C(C(=C1)C2=C(N=C(S2)N)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O2S/c10-8-7(16-9(11)12-8)5-3-1-2-4-6(5)13(14)15/h1-4H,10H2,(H2,11,12)
InChIKey
JVCBINJHDHDUSB-UHFFFAOYSA-N
Compound name
5-(2-nitrophenyl)-1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.044076 144.5
[M+Na]+ 259.026018 152.5
[M-H]- 235.029524 150.2
[M+NH4]+ 254.070623 161.3
[M+K]+ 274.999958 144.1
[M+H-H2O]+ 219.034060 141.6
[M+HCOO]- 281.035001 166.5
[M+CH3COO]- 295.050651 186.3
[M+Na-2H]- 257.011466 148.7
[M]+ 236.03625142 141.3
[M]- 236.03734858 141.3
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

No patent data available for this compound.