CID 389280

Nsc685033

Structural Information

Molecular Formula
C24H27N3O4
SMILES
CC(=O)OC1=C(C(=C(C2=C1N(C=C2)N(C)C)O)C(=O)C3=CC=CC=C3)N4CCCCC4
InChI
InChI=1S/C24H27N3O4/c1-16(28)31-24-20-18(12-15-27(20)25(2)3)23(30)19(21(24)26-13-8-5-9-14-26)22(29)17-10-6-4-7-11-17/h4,6-7,10-12,15,30H,5,8-9,13-14H2,1-3H3
InChIKey
OHKILEIVRQBSHW-UHFFFAOYSA-N
Compound name
[5-benzoyl-1-(dimethylamino)-4-hydroxy-6-piperidin-1-ylindol-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.20016 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20744 200.9
[M+Na]+ 444.18938 205.9
[M-H]- 420.19288 208.9
[M+NH4]+ 439.23398 210.1
[M+K]+ 460.16332 202.1
[M+H-H2O]+ 404.19742 190.4
[M+HCOO]- 466.19836 217.0
[M+CH3COO]- 480.21401 231.3
[M+Na-2H]- 442.17483 198.4
[M]+ 421.19961 202.1
[M]- 421.20071 202.1
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.