CID 32258

Brn 5390465

Structural Information

Molecular Formula
C8H11N5O3S
SMILES
C1CN(C(=N1)NC2=NC=C(S2)[N+](=O)[O-])CCO
InChI
InChI=1S/C8H11N5O3S/c14-4-3-12-2-1-9-7(12)11-8-10-5-6(17-8)13(15)16/h5,14H,1-4H2,(H,9,10,11)
InChIKey
NCTVMGMNIUJYIN-UHFFFAOYSA-N
Compound name
2-[2-[(5-nitro-1,3-thiazol-2-yl)amino]-4,5-dihydroimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05826 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06554 151.1
[M+Na]+ 280.04748 158.0
[M-H]- 256.05098 153.9
[M+NH4]+ 275.09208 166.2
[M+K]+ 296.02142 151.2
[M+H-H2O]+ 240.05552 147.6
[M+HCOO]- 302.05646 169.5
[M+CH3COO]- 316.07211 183.8
[M+Na-2H]- 278.03293 154.7
[M]+ 257.05771 149.5
[M]- 257.05881 149.5
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.