CID 365321

Nsc632912

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC(C)(C)OC(=O)CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-21(2,3)24-20(23)14-17-9-10-19-18(13-17)11-12-22(19)15-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3
InChIKey
FTFJBSFVSBQAFV-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-benzylindol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.9
[M+Na]+ 344.16210 188.0
[M-H]- 320.16560 186.5
[M+NH4]+ 339.20670 195.8
[M+K]+ 360.13604 183.2
[M+H-H2O]+ 304.17014 171.8
[M+HCOO]- 366.17108 200.6
[M+CH3COO]- 380.18673 208.2
[M+Na-2H]- 342.14755 183.7
[M]+ 321.17233 184.5
[M]- 321.17343 184.5
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.