CID 382329

Nsc669798

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C(C)(C)C)(C)C
InChI
InChI=1S/C17H25NO2/c1-10-8-12-13(11(2)14(10)19)17(6,7)9-18(12)15(20)16(3,4)5/h8,19H,9H2,1-7H3
InChIKey
FXWDWMOUPSIZLD-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3,3,4,6-tetramethyl-2H-indol-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 165.2
[M+Na]+ 298.177758 175.1
[M-H]- 274.181264 168.1
[M+NH4]+ 293.222363 185.8
[M+K]+ 314.151698 171.7
[M+H-H2O]+ 258.185800 161.2
[M+HCOO]- 320.186741 181.5
[M+CH3COO]- 334.202391 201.8
[M+Na-2H]- 296.163206 166.4
[M]+ 275.18799142 168.0
[M]- 275.18908858 168.0
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

patents stripe