CID 354078

Nsc604534

Structural Information

Molecular Formula
C16H19NO4
SMILES
CCOC(=O)C1CC2=C(N1C(=O)C(=C)C)C=CC(=C2)OC
InChI
InChI=1S/C16H19NO4/c1-5-21-16(19)14-9-11-8-12(20-4)6-7-13(11)17(14)15(18)10(2)3/h6-8,14H,2,5,9H2,1,3-4H3
InChIKey
XQYWHBBNUHKIJY-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

289.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 166.8
[M+Na]+ 312.120618 174.0
[M-H]- 288.124124 170.0
[M+NH4]+ 307.165223 184.1
[M+K]+ 328.094558 171.9
[M+H-H2O]+ 272.128660 160.4
[M+HCOO]- 334.129601 185.3
[M+CH3COO]- 348.145251 203.2
[M+Na-2H]- 310.106066 165.6
[M]+ 289.13085142 170.6
[M]- 289.13194858 170.6
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