CID 57494

99304-34-4

Structural Information

Molecular Formula
C15H17NO4
SMILES
CCC(=O)N1C2=C(C=C(C=C2)C)C(C1=O)OC(=O)CC
InChI
InChI=1S/C15H17NO4/c1-4-12(17)16-11-7-6-9(3)8-10(11)14(15(16)19)20-13(18)5-2/h6-8,14H,4-5H2,1-3H3
InChIKey
AFNYBTZXPMRQIV-UHFFFAOYSA-N
Compound name
(5-methyl-2-oxo-1-propanoyl-3H-indol-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.5
[M+Na]+ 298.10497 170.4
[M-H]- 274.10847 165.1
[M+NH4]+ 293.14957 179.8
[M+K]+ 314.07891 168.0
[M+H-H2O]+ 258.11301 155.4
[M+HCOO]- 320.11395 181.3
[M+CH3COO]- 334.12960 200.6
[M+Na-2H]- 296.09042 161.4
[M]+ 275.11520 166.0
[M]- 275.11630 166.0
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.