CID 44611713

Resorcinol compound 15

Structural Information

Molecular Formula
C17H20O4
SMILES
CC1=C(C=CC(=C1OC)CCC2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C17H20O4/c1-11-16(20-2)9-7-13(17(11)21-3)5-4-12-6-8-14(18)10-15(12)19/h6-10,18-19H,4-5H2,1-3H3
InChIKey
IUYGPVSGZMZJPS-UHFFFAOYSA-N
Compound name
4-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

288.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.0
[M+Na]+ 311.12539 174.7
[M-H]- 287.12889 171.0
[M+NH4]+ 306.16999 181.1
[M+K]+ 327.09933 171.1
[M+H-H2O]+ 271.13343 158.8
[M+HCOO]- 333.13437 187.1
[M+CH3COO]- 347.15002 200.2
[M+Na-2H]- 309.11084 168.1
[M]+ 288.13562 170.2
[M]- 288.13672 170.2
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