CID 50155

68360-93-0

Structural Information

Molecular Formula
C25H39N3O5
SMILES
CCN(CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCCN(CC)CC)C)C
InChI
InChI=1S/C25H39N3O5/c1-7-27(8-2)13-15-31-23(29)18-33-20-11-12-22-21(17-20)24(19(5)26(22)6)25(30)32-16-14-28(9-3)10-4/h11-12,17H,7-10,13-16,18H2,1-6H3
InChIKey
TZHRXDCYYRCAEX-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-[2-[2-(diethylamino)ethoxy]-2-oxoethoxy]-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.28897 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.29625 218.0
[M+Na]+ 484.27819 221.9
[M-H]- 460.28169 223.2
[M+NH4]+ 479.32279 229.0
[M+K]+ 500.25213 221.4
[M+H-H2O]+ 444.28623 208.4
[M+HCOO]- 506.28717 240.1
[M+CH3COO]- 520.30282 248.8
[M+Na-2H]- 482.26364 214.3
[M]+ 461.28842 231.7
[M]- 461.28952 231.7
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.