CID 131527214

2091419-29-1

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)OC(=O)NCC1CCCN2C1=C(C=N2)C(=O)O
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)15-7-9-5-4-6-17-11(9)10(8-16-17)12(18)19/h8-9H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKey
YKSPYNGBYISAAG-UHFFFAOYSA-N
Compound name
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 169.4
[M+Na]+ 318.142418 174.6
[M-H]- 294.145924 169.6
[M+NH4]+ 313.187023 184.0
[M+K]+ 334.116358 173.0
[M+H-H2O]+ 278.150460 162.6
[M+HCOO]- 340.151401 184.6
[M+CH3COO]- 354.167051 201.5
[M+Na-2H]- 316.127866 171.4
[M]+ 295.15265142 169.4
[M]- 295.15374858 169.4
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.