CID 482827

2-[(3-acetylindol-1-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC(=O)C1=CN(C2=CC=CC=C21)COCCOC(=O)C
InChI
InChI=1S/C15H17NO4/c1-11(17)14-9-16(10-19-7-8-20-12(2)18)15-6-4-3-5-13(14)15/h3-6,9H,7-8,10H2,1-2H3
InChIKey
CLJIBZFPBZJILY-UHFFFAOYSA-N
Compound name
2-[(3-acetylindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 162.0
[M+Na]+ 298.10497 170.7
[M-H]- 274.10847 165.6
[M+NH4]+ 293.14957 179.8
[M+K]+ 314.07891 168.4
[M+H-H2O]+ 258.11301 154.9
[M+HCOO]- 320.11395 184.5
[M+CH3COO]- 334.12960 198.9
[M+Na-2H]- 296.09042 164.9
[M]+ 275.11520 169.3
[M]- 275.11630 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.