CID 2983214

838584-50-2

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=O
InChI
InChI=1S/C15H11NO4/c17-9-10-7-16(13-4-2-1-3-12(10)13)8-11-5-6-14(20-11)15(18)19/h1-7,9H,8H2,(H,18,19)
InChIKey
DAYGBDYALIOMSM-UHFFFAOYSA-N
Compound name
5-[(3-formylindol-1-yl)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.06882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 157.9
[M+Na]+ 292.05804 171.0
[M+NH4]+ 287.10264 164.8
[M+K]+ 308.03198 169.3
[M-H]- 268.06154 160.9
[M+Na-2H]- 290.04349 163.2
[M]+ 269.06827 160.5
[M]- 269.06937 160.5
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