CID 6449499

124392-67-2

Structural Information

Molecular Formula
C22H24O4
SMILES
CC1=CC(=C2C(=C1C)OCC/C(=C/C3=CC(=C(C=C3)OC)OC)/C2=O)C
InChI
InChI=1S/C22H24O4/c1-13-10-14(2)20-21(23)17(8-9-26-22(20)15(13)3)11-16-6-7-18(24-4)19(12-16)25-5/h6-7,10-12H,8-9H2,1-5H3/b17-11-
InChIKey
FBMLEIHCLZOXIZ-BOPFTXTBSA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.174726 181.4
[M+Na]+ 375.156668 189.1
[M-H]- 351.160174 191.2
[M+NH4]+ 370.201273 194.4
[M+K]+ 391.130608 191.0
[M+H-H2O]+ 335.164710 175.3
[M+HCOO]- 397.165651 199.6
[M+CH3COO]- 411.181301 218.5
[M+Na-2H]- 373.142116 182.2
[M]+ 352.16690142 183.5
[M]- 352.16799858 183.5
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.