CID 128480

Tzi-41127

Structural Information

Molecular Formula
C18H19NO2
SMILES
CC1=CC(=CC(=C1O)C)C2=C(C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C18H19NO2/c1-10-7-13(8-11(2)18(10)20)17-12(3)15-9-14(21-4)5-6-16(15)19-17/h5-9,19-20H,1-4H3
InChIKey
OZFHUMGEWVYBRM-UHFFFAOYSA-N
Compound name
4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

281.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.7
[M+Na]+ 304.13079 177.4
[M-H]- 280.13429 171.2
[M+NH4]+ 299.17539 183.1
[M+K]+ 320.10473 171.3
[M+H-H2O]+ 264.13883 158.9
[M+HCOO]- 326.13977 186.8
[M+CH3COO]- 340.15542 178.4
[M+Na-2H]- 302.11624 167.8
[M]+ 281.14102 169.3
[M]- 281.14212 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

patents stripe