CID 15887147

138730-81-1

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O
InChI
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)15-9-4-5-10-8(6-9)7-11(16-10)12(17)18/h4-7,16H,1-3H3,(H,15,19)(H,17,18)
InChIKey
UMNXRJKQZFKDNR-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

276.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 162.4
[M+Na]+ 299.100218 170.1
[M-H]- 275.103724 163.8
[M+NH4]+ 294.144823 178.7
[M+K]+ 315.074158 167.2
[M+H-H2O]+ 259.108260 156.5
[M+HCOO]- 321.109201 181.7
[M+CH3COO]- 335.124851 195.3
[M+Na-2H]- 297.085666 166.6
[M]+ 276.11045142 164.3
[M]- 276.11154858 164.3
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