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-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

303.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 170.2
[M+Na]+ 326.136278 179.0
[M-H]- 302.139784 175.2
[M+NH4]+ 321.180883 183.9
[M+K]+ 342.110218 176.5
[M+H-H2O]+ 286.144320 161.9
[M+HCOO]- 348.145261 190.5
[M+CH3COO]- 362.160911 206.2
[M+Na-2H]- 324.121726 171.6
[M]+ 303.14651142 176.1
[M]- 303.14760858 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