CID 165901660

2639413-25-3

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CC1=CC(=NC(=N1)C2CN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H19N3O4/c1-8-5-10(12(18)19)16-11(15-8)9-6-17(7-9)13(20)21-14(2,3)4/h5,9H,6-7H2,1-4H3,(H,18,19)
InChIKey
AMXJAUYIKJHHKR-UHFFFAOYSA-N
Compound name
6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 171.2
[M+Na]+ 316.12676 176.8
[M-H]- 292.13026 172.5
[M+NH4]+ 311.17136 175.7
[M+K]+ 332.10070 178.3
[M+H-H2O]+ 276.13480 157.4
[M+HCOO]- 338.13574 184.3
[M+CH3COO]- 352.15139 203.3
[M+Na-2H]- 314.11221 171.9
[M]+ 293.13699 181.4
[M]- 293.13809 181.4
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.