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

78
Patents

276.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.4
[M+Na]+ 299.10022 170.1
[M-H]- 275.10372 163.8
[M+NH4]+ 294.14482 178.7
[M+K]+ 315.07416 167.2
[M+H-H2O]+ 259.10826 156.5
[M+HCOO]- 321.10920 181.7
[M+CH3COO]- 335.12485 195.3
[M+Na-2H]- 297.08567 166.6
[M]+ 276.11045 164.3
[M]- 276.11155 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