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]+ 245.08804 148.4
[M+Na]+ 267.06998 153.2
[M-H]- 243.07348 147.1
[M+NH4]+ 262.11458 162.0
[M+K]+ 283.04392 148.0
[M+H-H2O]+ 227.07802 145.4
[M+HCOO]- 289.07896 169.5
[M+CH3COO]- 303.09461 181.8
[M+Na-2H]- 265.05543 153.7
[M]+ 244.08021 146.0
[M]- 244.08131 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.