CID 6480936

Chembl365951

Structural Information

Molecular Formula
C33H43N3O5
SMILES
CCN(CC)CC1CN(CCO1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=C(C=C4)OC)C5CCCCC5
InChI
InChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39)
InChIKey
GQICWVPXBLZMOB-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[2-[2-(diethylaminomethyl)morpholin-4-yl]-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

561.32025 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.32753 239.4
[M+Na]+ 584.30947 239.0
[M-H]- 560.31297 248.8
[M+NH4]+ 579.35407 240.4
[M+K]+ 600.28341 235.7
[M+H-H2O]+ 544.31751 226.6
[M+HCOO]- 606.31845 248.2
[M+CH3COO]- 620.33410 258.3
[M+Na-2H]- 582.29492 231.5
[M]+ 561.31970 238.6
[M]- 561.32080 238.6
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.