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]+ 322.180156 179.9
[M+Na]+ 344.162098 188.0
[M-H]- 320.165604 186.5
[M+NH4]+ 339.206703 195.8
[M+K]+ 360.136038 183.2
[M+H-H2O]+ 304.170140 171.8
[M+HCOO]- 366.171081 200.6
[M+CH3COO]- 380.186731 208.2
[M+Na-2H]- 342.147546 183.7
[M]+ 321.17233142 184.5
[M]- 321.17342858 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.