CID 95826384

1211518-74-9

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)9-18-10-12(8-16-18)13(19)20/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKey
YGCYOCICFPWHNN-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.16885 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.1
[M+Na]+ 332.158068 178.7
[M-H]- 308.161574 175.0
[M+NH4]+ 327.202673 185.7
[M+K]+ 348.132008 176.9
[M+H-H2O]+ 292.166110 165.8
[M+HCOO]- 354.167051 186.8
[M+CH3COO]- 368.182701 200.7
[M+Na-2H]- 330.143516 173.2
[M]+ 309.16830142 172.9
[M]- 309.16939858 172.9
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