CID 367943

Nsc638147

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1=CC(=C(C(=C1C(=O)O)CC2=CC(=CC(=C2)OC)OC)OC)OC
InChI
InChI=1S/C19H22O6/c1-11-6-16(24-4)18(25-5)15(17(11)19(20)21)9-12-7-13(22-2)10-14(8-12)23-3/h6-8,10H,9H2,1-5H3,(H,20,21)
InChIKey
UKVZTCOUMCJDTK-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethoxyphenyl)methyl]-3,4-dimethoxy-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 178.2
[M+Na]+ 369.13085 186.8
[M-H]- 345.13435 184.5
[M+NH4]+ 364.17545 191.4
[M+K]+ 385.10479 185.2
[M+H-H2O]+ 329.13889 170.2
[M+HCOO]- 391.13983 199.6
[M+CH3COO]- 405.15548 214.4
[M+Na-2H]- 367.11630 178.0
[M]+ 346.14108 186.9
[M]- 346.14218 186.9
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

No patent data available for this compound.