CID 92390

74141-74-5

Structural Information

Molecular Formula
C9H14N4O5
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO
InChI
InChI=1S/C9H14N4O5/c14-5-3-11(4-6-15)8(16)7-12-2-1-10-9(12)13(17)18/h1-2,14-15H,3-7H2
InChIKey
KGFGBSRVWKBWIC-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

3
Patents

258.0964 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.103676 153.3
[M+Na]+ 281.085618 158.1
[M-H]- 257.089124 153.2
[M+NH4]+ 276.130223 167.0
[M+K]+ 297.059558 153.5
[M+H-H2O]+ 241.093660 149.9
[M+HCOO]- 303.094601 175.6
[M+CH3COO]- 317.110251 187.3
[M+Na-2H]- 279.071066 158.5
[M]+ 258.09585142 153.1
[M]- 258.09694858 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe