CID 52982889

1233026-30-6

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]+ 336.191776 180.6
[M+Na]+ 358.173718 184.5
[M-H]- 334.177224 182.7
[M+NH4]+ 353.218323 190.5
[M+K]+ 374.147658 182.3
[M+H-H2O]+ 318.181760 172.0
[M+HCOO]- 380.182701 194.2
[M+CH3COO]- 394.198351 210.6
[M+Na-2H]- 356.159166 181.1
[M]+ 335.18395142 178.5
[M]- 335.18504858 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.