CID 45789761

1209646-17-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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 170.9
[M+Na]+ 331.13769 180.4
[M+NH4]+ 326.18229 174.2
[M+K]+ 347.11163 178.1
[M-H]- 307.14119 169.1
[M+Na-2H]- 329.12314 174.4
[M]+ 308.14792 171.2
[M]- 308.14902 171.2
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