CID 125511826

2092460-75-6

Structural Information

Molecular Formula
C13H15N3O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C(=NN2)C(=O)O
InChI
InChI=1S/C13H15N3O4/c1-13(2,3)20-12(19)14-7-4-5-8-9(6-7)15-16-10(8)11(17)18/h4-6H,1-3H3,(H,14,19)(H,15,16)(H,17,18)
InChIKey
IXYVGEBQOKOZJS-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 162.4
[M+Na]+ 300.09548 170.5
[M-H]- 276.09898 162.6
[M+NH4]+ 295.14008 177.2
[M+K]+ 316.06942 167.7
[M+H-H2O]+ 260.10352 155.8
[M+HCOO]- 322.10446 180.7
[M+CH3COO]- 336.12011 195.1
[M+Na-2H]- 298.08093 167.1
[M]+ 277.10571 164.4
[M]- 277.10681 164.4
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.