CID 3044911

Brn 0497622

Structural Information

Molecular Formula
C20H21NO3
SMILES
CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)OC
InChI
InChI=1S/C20H21NO3/c1-14-17(12-20(22)24-3)18-11-16(23-2)9-10-19(18)21(14)13-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3
InChIKey
LUODYXFLGNQCEA-UHFFFAOYSA-N
Compound name
methyl 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

323.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.8
[M+Na]+ 346.14135 191.9
[M+NH4]+ 341.18595 184.6
[M+K]+ 362.11529 185.7
[M-H]- 322.14485 180.7
[M+Na-2H]- 344.12680 184.1
[M]+ 323.15158 180.2
[M]- 323.15268 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe