CID 4656408

32449-99-3

Structural Information

Molecular Formula
C14H14N2O5
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey
VAFNMNRKDDAKRM-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

316
Patents

290.09027 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 164.1
[M+Na]+ 313.07949 171.3
[M+NH4]+ 308.12409 167.8
[M+K]+ 329.05343 171.2
[M-H]- 289.08299 161.4
[M+Na-2H]- 311.06494 165.2
[M]+ 290.08972 163.6
[M]- 290.09082 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe