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]+ 276.19582 165.2
[M+Na]+ 298.17776 175.1
[M-H]- 274.18126 168.1
[M+NH4]+ 293.22236 185.8
[M+K]+ 314.15170 171.7
[M+H-H2O]+ 258.18580 161.2
[M+HCOO]- 320.18674 181.5
[M+CH3COO]- 334.20239 201.8
[M+Na-2H]- 296.16321 166.4
[M]+ 275.18799 168.0
[M]- 275.18909 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