CID 40428552

4-(benzyloxy)-3-bromo-1h-indole, n-boc protected

Structural Information

Molecular Formula
C20H20BrNO3
SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2OCC3=CC=CC=C3)Br
InChI
InChI=1S/C20H20BrNO3/c1-20(2,3)25-19(23)22-12-15(21)18-16(22)10-7-11-17(18)24-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKey
UACXJDPPSVYRDI-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-4-phenylmethoxyindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.06265 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06993 191.2
[M+Na]+ 424.05187 202.8
[M-H]- 400.05537 200.5
[M+NH4]+ 419.09647 207.9
[M+K]+ 440.02581 191.6
[M+H-H2O]+ 384.05991 189.8
[M+HCOO]- 446.06085 209.8
[M+CH3COO]- 460.07650 215.8
[M+Na-2H]- 422.03732 195.4
[M]+ 401.06210 215.2
[M]- 401.06320 215.2
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.