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

3
Patents

276.111 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 162.5
[M+Na]+ 299.100218 168.2
[M-H]- 275.103724 164.1
[M+NH4]+ 294.144823 178.9
[M+K]+ 315.074158 165.8
[M+H-H2O]+ 259.108260 155.8
[M+HCOO]- 321.109201 181.2
[M+CH3COO]- 335.124851 198.7
[M+Na-2H]- 297.085666 163.1
[M]+ 276.11045142 162.5
[M]- 276.11154858 162.5
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