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 169.9
[M+Na]+ 324.12062 178.1
[M-H]- 300.12412 172.2
[M+NH4]+ 319.16522 186.1
[M+K]+ 340.09456 174.6
[M+H-H2O]+ 284.12866 163.3
[M+HCOO]- 346.12960 189.4
[M+CH3COO]- 360.14525 203.7
[M+Na-2H]- 322.10607 169.5
[M]+ 301.13085 175.1
[M]- 301.13195 175.1
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