CID 382331

Nsc669800

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CN(C2=C1C(=C(C(=C2C)C)O)C)C(=O)C(C)(C)C
InChI
InChI=1S/C17H23NO2/c1-9-8-18(16(20)17(5,6)7)14-10(2)11(3)15(19)12(4)13(9)14/h8,19H,1-7H3
InChIKey
DRWPEPWTQYJGTN-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3,4,6,7-tetramethylindol-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 164.6
[M+Na]+ 296.16210 176.4
[M-H]- 272.16560 168.4
[M+NH4]+ 291.20670 183.7
[M+K]+ 312.13604 172.5
[M+H-H2O]+ 256.17014 159.8
[M+HCOO]- 318.17108 183.7
[M+CH3COO]- 332.18673 203.0
[M+Na-2H]- 294.14755 165.5
[M]+ 273.17233 170.3
[M]- 273.17343 170.3
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