CID 28985

Of-2499

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C3=CC=CC=C3C
InChI
InChI=1S/C25H32N2O3/c1-6-26(7-2)15-16-30-20-13-14-23-21(17-20)24(25(28)29-8-3)19(5)27(23)22-12-10-9-11-18(22)4/h9-14,17H,6-8,15-16H2,1-5H3
InChIKey
DNXZQDOPVVOCSH-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(diethylamino)ethoxy]-2-methyl-1-(2-methylphenyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 202.9
[M+Na]+ 431.23052 216.2
[M+NH4]+ 426.27512 209.5
[M+K]+ 447.20446 209.9
[M-H]- 407.23402 207.2
[M+Na-2H]- 429.21597 208.6
[M]+ 408.24075 206.1
[M]- 408.24185 206.1
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

No patent data available for this compound.