CID 9911463

(2,3-dichlorophenyl)[5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]-1h-indol-1-yl]methanone

Structural Information

Molecular Formula
C23H24Cl2N2O3
SMILES
CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4
InChI
InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
InChIKey
FSFZRNZSZYDVLI-UHFFFAOYSA-N
Compound name
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

174
Patents

446.1164 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12368 207.2
[M+Na]+ 469.10562 216.5
[M-H]- 445.10912 215.0
[M+NH4]+ 464.15022 216.6
[M+K]+ 485.07956 210.2
[M+H-H2O]+ 429.11366 197.3
[M+HCOO]- 491.11460 213.5
[M+CH3COO]- 505.13025 215.8
[M+Na-2H]- 467.09107 204.4
[M]+ 446.11585 213.6
[M]- 446.11695 213.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe