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]+ 268.10402 157.8
[M+Na]+ 290.08596 163.8
[M-H]- 266.08946 158.6
[M+NH4]+ 285.13056 167.6
[M+K]+ 306.05990 162.0
[M+H-H2O]+ 250.09400 147.0
[M+HCOO]- 312.09494 174.9
[M+CH3COO]- 326.11059 197.3
[M+Na-2H]- 288.07141 163.1
[M]+ 267.09619 156.8
[M]- 267.09729 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.