CID 69872409

2356152-62-8

Structural Information

Molecular Formula
C13H13NO5
SMILES
COC1=CC2=C(C=C1)NC(=C2CC(=O)OC)C(=O)O
InChI
InChI=1S/C13H13NO5/c1-18-7-3-4-10-8(5-7)9(6-11(15)19-2)12(14-10)13(16)17/h3-5,14H,6H2,1-2H3,(H,16,17)
InChIKey
KXFNJICSYDKVAT-UHFFFAOYSA-N
Compound name
5-methoxy-3-(2-methoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.07938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 155.6
[M+Na]+ 286.06860 164.9
[M-H]- 262.07210 157.1
[M+NH4]+ 281.11320 172.7
[M+K]+ 302.04254 162.2
[M+H-H2O]+ 246.07664 149.5
[M+HCOO]- 308.07758 175.9
[M+CH3COO]- 322.09323 191.5
[M+Na-2H]- 284.05405 158.2
[M]+ 263.07883 160.3
[M]- 263.07993 160.3
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