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 155.9
[M+NH4]+ 254.07062 152.5
[M+K]+ 274.99996 153.5
[M-H]- 235.02952 149.8
[M+Na-2H]- 257.01147 151.2
[M]+ 236.03625 147.7
[M]- 236.03735 147.7
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.