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]+ 296.16048 169.4
[M+Na]+ 318.14242 174.6
[M-H]- 294.14592 169.6
[M+NH4]+ 313.18702 184.0
[M+K]+ 334.11636 173.0
[M+H-H2O]+ 278.15046 162.6
[M+HCOO]- 340.15140 184.6
[M+CH3COO]- 354.16705 201.5
[M+Na-2H]- 316.12787 171.4
[M]+ 295.15265 169.4
[M]- 295.15375 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.