CID 165743115

2-{4-[(tert-butoxy)carbonyl]morpholin-3-yl}pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H19N3O5
SMILES
CC(C)(C)OC(=O)N1CCOCC1C2=NC=CC(=N2)C(=O)O
InChI
InChI=1S/C14H19N3O5/c1-14(2,3)22-13(20)17-6-7-21-8-10(17)11-15-5-4-9(16-11)12(18)19/h4-5,10H,6-8H2,1-3H3,(H,18,19)
InChIKey
MGZWTNLXUWRCBQ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13248 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13976 171.5
[M+Na]+ 332.12170 176.7
[M-H]- 308.12520 173.0
[M+NH4]+ 327.16630 179.7
[M+K]+ 348.09564 176.2
[M+H-H2O]+ 292.12974 162.3
[M+HCOO]- 354.13068 182.9
[M+CH3COO]- 368.14633 200.5
[M+Na-2H]- 330.10715 174.3
[M]+ 309.13193 171.1
[M]- 309.13303 171.1
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.