CID 3044481

57330-95-7

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=C(C(=NC=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)O)C
InChI
InChI=1S/C17H21NO4/c1-10-6-7-18-15(11(10)2)16(19)12-8-13(20-3)17(22-5)14(9-12)21-4/h6-9,16,19H,1-5H3
InChIKey
UMGQVIOGHDLFBI-UHFFFAOYSA-N
Compound name
(3,4-dimethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 170.2
[M+Na]+ 326.13628 179.0
[M-H]- 302.13978 175.2
[M+NH4]+ 321.18088 183.9
[M+K]+ 342.11022 176.5
[M+H-H2O]+ 286.14432 161.9
[M+HCOO]- 348.14526 190.5
[M+CH3COO]- 362.16091 206.2
[M+Na-2H]- 324.12173 171.6
[M]+ 303.14651 176.1
[M]- 303.14761 176.1
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