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 199.6
[M+Na]+ 417.21487 207.3
[M-H]- 393.21837 207.7
[M+NH4]+ 412.25947 213.2
[M+K]+ 433.18881 203.6
[M+H-H2O]+ 377.22291 190.1
[M+HCOO]- 439.22385 222.3
[M+CH3COO]- 453.23950 231.2
[M+Na-2H]- 415.20032 198.6
[M]+ 394.22510 208.8
[M]- 394.22620 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.