CID 42587

Brn 0448118

Structural Information

Molecular Formula
C20H27NO5
SMILES
CCOC(=O)CN1C(=C(C2=C1C=CC(=C2)OC)CC(=O)OC(C)(C)C)C
InChI
InChI=1S/C20H27NO5/c1-7-25-19(23)12-21-13(2)15(11-18(22)26-20(3,4)5)16-10-14(24-6)8-9-17(16)21/h8-10H,7,11-12H2,1-6H3
InChIKey
SLPRWHYDYQOSGZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[1-(2-ethoxy-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19621 187.4
[M+Na]+ 384.17815 195.9
[M-H]- 360.18165 191.2
[M+NH4]+ 379.22275 202.4
[M+K]+ 400.15209 194.0
[M+H-H2O]+ 344.18619 180.8
[M+HCOO]- 406.18713 206.7
[M+CH3COO]- 420.20278 217.4
[M+Na-2H]- 382.16360 187.7
[M]+ 361.18838 198.0
[M]- 361.18948 198.0
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.