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 157.3
[M+Na]+ 292.05804 167.9
[M-H]- 268.06154 164.6
[M+NH4]+ 287.10264 175.1
[M+K]+ 308.03198 165.1
[M+H-H2O]+ 252.06608 151.2
[M+HCOO]- 314.06702 180.6
[M+CH3COO]- 328.08267 193.7
[M+Na-2H]- 290.04349 160.6
[M]+ 269.06827 162.8
[M]- 269.06937 162.8
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