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]+ 237.04408 144.5
[M+Na]+ 259.02602 152.5
[M-H]- 235.02952 150.2
[M+NH4]+ 254.07062 161.3
[M+K]+ 274.99996 144.1
[M+H-H2O]+ 219.03406 141.6
[M+HCOO]- 281.03500 166.5
[M+CH3COO]- 295.05065 186.3
[M+Na-2H]- 257.01147 148.7
[M]+ 236.03625 141.3
[M]- 236.03735 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.