CID 11415512

Chebi:188745

Structural Information

Molecular Formula
C14H14N2O6
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t8?,10-/m0/s1
InChIKey
SDOOMIWSQMGJCL-HTLJXXAVSA-N
Compound name
(2S)-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.08517 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09245 166.0
[M+Na]+ 329.07439 170.3
[M-H]- 305.07789 164.9
[M+NH4]+ 324.11899 179.2
[M+K]+ 345.04833 167.8
[M+H-H2O]+ 289.08243 159.7
[M+HCOO]- 351.08337 181.1
[M+CH3COO]- 365.09902 199.8
[M+Na-2H]- 327.05984 165.0
[M]+ 306.08462 164.0
[M]- 306.08572 164.0
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

No patent data available for this compound.