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 204.2
[M+Na]+ 431.23052 211.5
[M-H]- 407.23402 212.1
[M+NH4]+ 426.27512 217.3
[M+K]+ 447.20446 207.5
[M+H-H2O]+ 391.23856 194.5
[M+HCOO]- 453.23950 226.6
[M+CH3COO]- 467.25515 234.1
[M+Na-2H]- 429.21597 202.8
[M]+ 408.24075 213.8
[M]- 408.24185 213.8
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

No patent data available for this compound.