CID 5275449

Chembl179673

Structural Information

Molecular Formula
C26H30N2O3
SMILES
CC1=CC=C(C=C1)C2=C(C3=C(N2CC(=O)N(C)C)C=C(C=C3)C(=O)O)C4CCCCC4
InChI
InChI=1S/C26H30N2O3/c1-17-9-11-19(12-10-17)25-24(18-7-5-4-6-8-18)21-14-13-20(26(30)31)15-22(21)28(25)16-23(29)27(2)3/h9-15,18H,4-8,16H2,1-3H3,(H,30,31)
InChIKey
SXCZQGQKPFLBQR-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylphenyl)indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

418.22565 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 203.3
[M+Na]+ 441.21487 207.7
[M-H]- 417.21837 212.2
[M+NH4]+ 436.25947 214.1
[M+K]+ 457.18881 202.9
[M+H-H2O]+ 401.22291 193.4
[M+HCOO]- 463.22385 219.9
[M+CH3COO]- 477.23950 232.2
[M+Na-2H]- 439.20032 199.4
[M]+ 418.22510 203.1
[M]- 418.22620 203.1
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.