CID 137952376

2174002-25-4

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=C(N=C(N1)C2CCCN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H23N3O4/c1-9-11(13(19)20)17-12(16-9)10-6-5-7-18(8-10)14(21)22-15(2,3)4/h10H,5-8H2,1-4H3,(H,16,17)(H,19,20)
InChIKey
KDARDKGBHKPSFX-UHFFFAOYSA-N
Compound name
5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.6
[M+Na]+ 332.158068 179.7
[M-H]- 308.161574 174.6
[M+NH4]+ 327.202673 185.8
[M+K]+ 348.132008 177.1
[M+H-H2O]+ 292.166110 167.0
[M+HCOO]- 354.167051 185.8
[M+CH3COO]- 368.182701 199.7
[M+Na-2H]- 330.143516 172.6
[M]+ 309.16830142 172.0
[M]- 309.16939858 172.0
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.