CID 216253

Hydroxindasate

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC1=C(C2=C(N1CC3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C)CCN
InChI
InChI=1S/C21H24N2O3/c1-14-19(10-11-22)20-12-18(26-15(2)24)8-9-21(20)23(14)13-16-4-6-17(25-3)7-5-16/h4-9,12H,10-11,13,22H2,1-3H3
InChIKey
FEPRMHVEXSXGPN-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1-[(4-methoxyphenyl)methyl]-2-methylindol-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

352.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 186.3
[M+Na]+ 375.167898 195.3
[M-H]- 351.171404 193.1
[M+NH4]+ 370.212503 200.8
[M+K]+ 391.141838 190.5
[M+H-H2O]+ 335.175940 177.6
[M+HCOO]- 397.176881 209.0
[M+CH3COO]- 411.192531 218.6
[M+Na-2H]- 373.153346 186.7
[M]+ 352.17813142 192.3
[M]- 352.17922858 192.3
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.