CID 2761124

394654-07-0

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(=O)N1CCC2=C1C(=CC=C2)NC(=O)CCC(=O)O
InChI
InChI=1S/C14H16N2O4/c1-9(17)16-8-7-10-3-2-4-11(14(10)16)15-12(18)5-6-13(19)20/h2-4H,5-8H2,1H3,(H,15,18)(H,19,20)
InChIKey
ROCYRFIEWHKAQL-UHFFFAOYSA-N
Compound name
4-[(1-acetyl-2,3-dihydroindol-7-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.111 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.8
[M+Na]+ 299.10022 170.5
[M+NH4]+ 294.14482 167.9
[M+K]+ 315.07416 169.0
[M-H]- 275.10372 161.6
[M+Na-2H]- 297.08567 163.9
[M]+ 276.11045 162.9
[M]- 276.11155 162.9
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