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

70
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 161.6
[M+Na]+ 299.10022 170.6
[M+NH4]+ 294.14482 166.7
[M+K]+ 315.07416 169.6
[M-H]- 275.10372 160.2
[M+Na-2H]- 297.08567 164.4
[M]+ 276.11045 162.1
[M]- 276.11155 162.1
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

patents stripe