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]+ 262.107376 157.6
[M+Na]+ 284.089318 166.0
[M-H]- 260.092824 161.1
[M+NH4]+ 279.133923 176.2
[M+K]+ 300.063258 163.8
[M+H-H2O]+ 244.097360 151.4
[M+HCOO]- 306.098301 177.8
[M+CH3COO]- 320.113951 196.3
[M+Na-2H]- 282.074766 158.7
[M]+ 261.09955142 161.4
[M]- 261.10064858 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.