CID 1737813

Nsc669441

Structural Information

Molecular Formula
C26H31NO7
SMILES
CN1C/C(=C\C2=C(C(=C(C=C2)OC)OC)OC)/C(=O)/C(=C\C3=C(C(=C(C=C3)OC)OC)OC)/C1
InChI
InChI=1S/C26H31NO7/c1-27-14-18(12-16-8-10-20(29-2)25(33-6)23(16)31-4)22(28)19(15-27)13-17-9-11-21(30-3)26(34-7)24(17)32-5/h8-13H,14-15H2,1-7H3/b18-12-,19-13+
InChIKey
QIJNPXNDNGLJPA-MGYAYREDSA-N
Compound name
(3Z,5E)-1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

469.21005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.21733 212.6
[M+Na]+ 492.19927 219.9
[M-H]- 468.20277 221.1
[M+NH4]+ 487.24387 219.8
[M+K]+ 508.17321 216.9
[M+H-H2O]+ 452.20731 201.5
[M+HCOO]- 514.20825 230.0
[M+CH3COO]- 528.22390 239.9
[M+Na-2H]- 490.18472 208.2
[M]+ 469.20950 220.6
[M]- 469.21060 220.6
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

No patent data available for this compound.