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]+ 395.23293 198.4
[M+Na]+ 417.21487 211.9
[M+NH4]+ 412.25947 205.1
[M+K]+ 433.18881 205.8
[M-H]- 393.21837 202.7
[M+Na-2H]- 415.20032 204.4
[M]+ 394.22510 201.6
[M]- 394.22620 201.6
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.