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]+ 353.18596 186.3
[M+Na]+ 375.16790 195.3
[M-H]- 351.17140 193.1
[M+NH4]+ 370.21250 200.8
[M+K]+ 391.14184 190.5
[M+H-H2O]+ 335.17594 177.6
[M+HCOO]- 397.17688 209.0
[M+CH3COO]- 411.19253 218.6
[M+Na-2H]- 373.15335 186.7
[M]+ 352.17813 192.3
[M]- 352.17923 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.