CID 165908124

2-{[2-(4-nitrosopiperazin-1-yl)pyrimidin-5-yl]oxy}acetic acid

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1CN(CCN1C2=NC=C(C=N2)OCC(=O)O)N=O
InChI
InChI=1S/C10H13N5O4/c16-9(17)7-19-8-5-11-10(12-6-8)14-1-3-15(13-18)4-2-14/h5-6H,1-4,7H2,(H,16,17)
InChIKey
HRHRHVGMNKXMNM-UHFFFAOYSA-N
Compound name
2-[2-(4-nitrosopiperazin-1-yl)pyrimidin-5-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 157.8
[M+Na]+ 290.085958 163.8
[M-H]- 266.089464 158.6
[M+NH4]+ 285.130563 167.6
[M+K]+ 306.059898 162.0
[M+H-H2O]+ 250.094000 147.0
[M+HCOO]- 312.094941 174.9
[M+CH3COO]- 326.110591 197.3
[M+Na-2H]- 288.071406 163.1
[M]+ 267.09619142 156.8
[M]- 267.09728858 156.8
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.