CID 57493

99304-33-3

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCC(=O)N1C2=CC=CC=C2C(C1=O)OC(=O)CC
InChI
InChI=1S/C14H15NO4/c1-3-11(16)15-10-8-6-5-7-9(10)13(14(15)18)19-12(17)4-2/h5-8,13H,3-4H2,1-2H3
InChIKey
HGKWGSZYJQAQCD-UHFFFAOYSA-N
Compound name
(2-oxo-1-propanoyl-3H-indol-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.6
[M+Na]+ 284.08932 166.0
[M-H]- 260.09282 161.1
[M+NH4]+ 279.13392 176.2
[M+K]+ 300.06326 163.8
[M+H-H2O]+ 244.09736 151.4
[M+HCOO]- 306.09830 177.8
[M+CH3COO]- 320.11395 196.3
[M+Na-2H]- 282.07477 158.7
[M]+ 261.09955 161.4
[M]- 261.10065 161.4
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.