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]+ 362.196206 187.4
[M+Na]+ 384.178148 195.9
[M-H]- 360.181654 191.2
[M+NH4]+ 379.222753 202.4
[M+K]+ 400.152088 194.0
[M+H-H2O]+ 344.186190 180.8
[M+HCOO]- 406.187131 206.7
[M+CH3COO]- 420.202781 217.4
[M+Na-2H]- 382.163596 187.7
[M]+ 361.18838142 198.0
[M]- 361.18947858 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.