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]+ 258.065536 151.1
[M+Na]+ 280.047478 158.0
[M-H]- 256.050984 153.9
[M+NH4]+ 275.092083 166.2
[M+K]+ 296.021418 151.2
[M+H-H2O]+ 240.055520 147.6
[M+HCOO]- 302.056461 169.5
[M+CH3COO]- 316.072111 183.8
[M+Na-2H]- 278.032926 154.7
[M]+ 257.05771142 149.5
[M]- 257.05880858 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.