CID 382328

Nsc669797

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC1=CC2=C(C(=C1OC(=O)C)C)C(CN2C(=O)C(C)(C)C)(C)C
InChI
InChI=1S/C19H27NO3/c1-11-9-14-15(12(2)16(11)23-13(3)21)19(7,8)10-20(14)17(22)18(4,5)6/h9H,10H2,1-8H3
InChIKey
RIHNNHDYYBINAD-UHFFFAOYSA-N
Compound name
[1-(2,2-dimethylpropanoyl)-3,3,4,6-tetramethyl-2H-indol-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 174.2
[M+Na]+ 340.18832 183.7
[M-H]- 316.19182 178.3
[M+NH4]+ 335.23292 193.7
[M+K]+ 356.16226 181.3
[M+H-H2O]+ 300.19636 169.9
[M+HCOO]- 362.19730 190.8
[M+CH3COO]- 376.21295 211.8
[M+Na-2H]- 338.17377 174.2
[M]+ 317.19855 179.7
[M]- 317.19965 179.7
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.