CID 5928923

Nsc690734

Structural Information

Molecular Formula
C27H32O7
SMILES
CC\1CC/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)/C1=C\C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C27H32O7/c1-16-8-9-19(10-17-12-21(29-2)26(33-6)22(13-17)30-3)25(28)20(16)11-18-14-23(31-4)27(34-7)24(15-18)32-5/h10-16H,8-9H2,1-7H3/b19-10+,20-11-
InChIKey
NISOQKGHYYAZDL-UDJQGPHRSA-N
Compound name
(2Z,6E)-3-methyl-2,6-bis[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2148 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.22208 211.8
[M+Na]+ 491.20402 218.7
[M-H]- 467.20752 221.5
[M+NH4]+ 486.24862 220.5
[M+K]+ 507.17796 215.9
[M+H-H2O]+ 451.21206 201.4
[M+HCOO]- 513.21300 230.2
[M+CH3COO]- 527.22865 240.2
[M+Na-2H]- 489.18947 206.9
[M]+ 468.21425 219.6
[M]- 468.21535 219.6
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.