CID 142644392

154712-77-3

Structural Information

Molecular Formula
C17H19NO4
SMILES
CCOC(=O)C1=C(N(C2=CC=CC=C21)C)CCC(=C)C(=O)O
InChI
InChI=1S/C17H19NO4/c1-4-22-17(21)15-12-7-5-6-8-13(12)18(3)14(15)10-9-11(2)16(19)20/h5-8H,2,4,9-10H2,1,3H3,(H,19,20)
InChIKey
OTAOHVAQDLTDBP-UHFFFAOYSA-N
Compound name
4-(3-ethoxycarbonyl-1-methylindol-2-yl)-2-methylidenebutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 170.0
[M+Na]+ 324.12062 180.6
[M+NH4]+ 319.16522 175.2
[M+K]+ 340.09456 177.8
[M-H]- 300.12412 168.9
[M+Na-2H]- 322.10607 172.2
[M]+ 301.13085 170.8
[M]- 301.13195 170.8
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