CID 28979

18235-88-6

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCN(CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)C)C
InChI
InChI=1S/C24H30N2O3/c1-6-25(7-2)14-15-29-24(27)23-18(4)26(19-10-8-17(3)9-11-19)22-13-12-20(28-5)16-21(22)23/h8-13,16H,6-7,14-15H2,1-5H3
InChIKey
HWLBWCCORHUNRD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-methoxy-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 199.6
[M+Na]+ 417.214868 207.3
[M-H]- 393.218374 207.7
[M+NH4]+ 412.259473 213.2
[M+K]+ 433.188808 203.6
[M+H-H2O]+ 377.222910 190.1
[M+HCOO]- 439.223851 222.3
[M+CH3COO]- 453.239501 231.2
[M+Na-2H]- 415.200316 198.6
[M]+ 394.22510142 208.8
[M]- 394.22619858 208.8
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.