CID 2404683

Thymol trimethoxycinnamate

Structural Information

Molecular Formula
C22H26O5
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H26O5/c1-14(2)17-9-7-15(3)11-18(17)27-21(23)10-8-16-12-19(24-4)22(26-6)20(13-16)25-5/h7-14H,1-6H3/b10-8+
InChIKey
GTPUEIXKLQUDEJ-CSKARUKUSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

184
Patents

370.178 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 188.0
[M+Na]+ 393.16722 195.3
[M-H]- 369.17072 195.0
[M+NH4]+ 388.21182 200.7
[M+K]+ 409.14116 192.9
[M+H-H2O]+ 353.17526 179.5
[M+HCOO]- 415.17620 209.0
[M+CH3COO]- 429.19185 221.0
[M+Na-2H]- 391.15267 186.1
[M]+ 370.17745 196.2
[M]- 370.17855 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe