CID 6474390

Nsc681110

Structural Information

Molecular Formula
C23H28O6
SMILES
CC(C)COC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C23H28O6/c1-15(2)14-29-23(24)18(17-8-10-20(26-4)22(13-17)28-6)11-16-7-9-19(25-3)21(12-16)27-5/h7-13,15H,14H2,1-6H3/b18-11+
InChIKey
KMAUYUJXBGTMIJ-WOJGMQOQSA-N
Compound name
2-methylpropyl (E)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1886 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19588 195.8
[M+Na]+ 423.17782 201.3
[M-H]- 399.18132 202.3
[M+NH4]+ 418.22242 206.8
[M+K]+ 439.15176 199.9
[M+H-H2O]+ 383.18586 186.8
[M+HCOO]- 445.18680 215.7
[M+CH3COO]- 459.20245 225.6
[M+Na-2H]- 421.16327 193.1
[M]+ 400.18805 204.8
[M]- 400.18915 204.8
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.