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

9
Patents

289.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 166.8
[M+Na]+ 312.12062 174.0
[M-H]- 288.12412 170.0
[M+NH4]+ 307.16522 184.1
[M+K]+ 328.09456 171.9
[M+H-H2O]+ 272.12866 160.4
[M+HCOO]- 334.12960 185.3
[M+CH3COO]- 348.14525 203.2
[M+Na-2H]- 310.10607 165.6
[M]+ 289.13085 170.6
[M]- 289.13195 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