CID 100010

74141-75-6

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(CO)O
InChI
InChI=1S/C8H12N4O5/c13-5-6(14)3-10-7(15)4-11-2-1-9-8(11)12(16)17/h1-2,6,13-14H,3-5H2,(H,10,15)
InChIKey
ITIMVGQIEWDPHB-UHFFFAOYSA-N
Compound name
N-(2,3-dihydroxypropyl)-2-(2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08076 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.088036 148.4
[M+Na]+ 267.069978 153.2
[M-H]- 243.073484 147.1
[M+NH4]+ 262.114583 162.0
[M+K]+ 283.043918 148.0
[M+H-H2O]+ 227.078020 145.4
[M+HCOO]- 289.078961 169.5
[M+CH3COO]- 303.094611 181.8
[M+Na-2H]- 265.055426 153.7
[M]+ 244.08021142 146.0
[M]- 244.08130858 146.0
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.