CID 53419715

305371-42-0

Structural Information

Molecular Formula
C12H15ClN2O4
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)OC)Cl
InChI
InChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-8-6-14-9(13)5-7(8)10(16)18-4/h5-6H,1-4H3,(H,15,17)
InChIKey
JYUMVTMXTSYJOG-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

286.07202 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07930 161.8
[M+Na]+ 309.06124 172.4
[M+NH4]+ 304.10584 167.1
[M+K]+ 325.03518 168.7
[M-H]- 285.06474 161.0
[M+Na-2H]- 307.04669 165.9
[M]+ 286.07147 163.1
[M]- 286.07257 163.1
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

patents stripe