CID 137942946

2260937-63-9

Structural Information

Molecular Formula
C15H22N4O5
SMILES
CC(C)(C)OC(=O)NCC1CN(CCO1)C2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C15H22N4O5/c1-15(2,3)24-14(22)18-6-10-9-19(4-5-23-10)12-8-16-11(7-17-12)13(20)21/h7-8,10H,4-6,9H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
YKQOZHQSGZPMAP-UHFFFAOYSA-N
Compound name
5-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.15903 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16631 180.0
[M+Na]+ 361.14825 183.8
[M-H]- 337.15175 181.4
[M+NH4]+ 356.19285 186.7
[M+K]+ 377.12219 183.1
[M+H-H2O]+ 321.15629 170.3
[M+HCOO]- 383.15723 192.2
[M+CH3COO]- 397.17288 208.8
[M+Na-2H]- 359.13370 183.0
[M]+ 338.15848 179.3
[M]- 338.15958 179.3
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.