CID 40428536

1-boc-4-benzyloxy-3-hydroxymethylindole

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2OCC3=CC=CC=C3)CO
InChI
InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-12-16(13-23)19-17(22)10-7-11-18(19)25-14-15-8-5-4-6-9-15/h4-12,23H,13-14H2,1-3H3
InChIKey
SRIUXQDQJCAGOQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-4-phenylmethoxyindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.7
[M+Na]+ 376.15194 197.8
[M+NH4]+ 371.19654 191.1
[M+K]+ 392.12588 193.3
[M-H]- 352.15544 186.8
[M+Na-2H]- 374.13739 190.9
[M]+ 353.16217 187.2
[M]- 353.16327 187.2
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.