CID 52982889

Dtxsid101120270

Structural Information

Molecular Formula
C17H25N3O4
SMILES
CC1=C(N=C(C=C1)C(=O)O)N2CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H25N3O4/c1-11-5-6-13(15(21)22)19-14(11)20-9-7-12(8-10-20)18-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H,18,23)(H,21,22)
InChIKey
YHVVYVUMGPTCGW-UHFFFAOYSA-N
Compound name
5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 180.6
[M+Na]+ 358.17372 184.5
[M-H]- 334.17722 182.7
[M+NH4]+ 353.21832 190.5
[M+K]+ 374.14766 182.3
[M+H-H2O]+ 318.18176 172.0
[M+HCOO]- 380.18270 194.2
[M+CH3COO]- 394.19835 210.6
[M+Na-2H]- 356.15917 181.1
[M]+ 335.18395 178.5
[M]- 335.18505 178.5
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.