CID 177799724

3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1h-indazole-7-carboxylic acid

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=C3C=CC=C(C3=NN2)C(=O)O
InChI
InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)19-7-9(8-19)12-10-5-4-6-11(14(20)21)13(10)18-17-12/h4-6,9H,7-8H2,1-3H3,(H,17,18)(H,20,21)
InChIKey
ZZUVONQXCKDYCC-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-2H-indazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.144816 177.2
[M+Na]+ 340.126758 183.2
[M-H]- 316.130264 178.6
[M+NH4]+ 335.171363 182.7
[M+K]+ 356.100698 183.0
[M+H-H2O]+ 300.134800 164.1
[M+HCOO]- 362.135741 189.9
[M+CH3COO]- 376.151391 204.1
[M+Na-2H]- 338.112206 177.8
[M]+ 317.13699142 187.1
[M]- 317.13808858 187.1
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.