CID 54181454

253315-11-6

Structural Information

Molecular Formula
C14H20N4O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)12-15-8-10(9-16-12)11(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKey
PCCFNCYKKKIXFX-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

308.14847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15575 173.5
[M+Na]+ 331.13769 178.7
[M-H]- 307.14119 173.0
[M+NH4]+ 326.18229 181.7
[M+K]+ 347.11163 176.4
[M+H-H2O]+ 291.14573 163.9
[M+HCOO]- 353.14667 184.2
[M+CH3COO]- 367.16232 201.0
[M+Na-2H]- 329.12314 175.6
[M]+ 308.14792 171.6
[M]- 308.14902 171.6
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

patents stripe