CID 40428536

4-benzyloxy-3-hydroxymethylindole, n-boc protected

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 186.2
[M+Na]+ 376.15194 194.3
[M-H]- 352.15544 191.9
[M+NH4]+ 371.19654 200.2
[M+K]+ 392.12588 190.2
[M+H-H2O]+ 336.15998 178.3
[M+HCOO]- 398.16092 205.6
[M+CH3COO]- 412.17657 210.5
[M+Na-2H]- 374.13739 189.2
[M]+ 353.16217 192.1
[M]- 353.16327 192.1
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.