CID 6437181

67939-84-8

Structural Information

Molecular Formula
C25H26N2O3
SMILES
CC1C/C(=C\C2=CC=C(C=C2)NC(=O)C)/C(=O)/C(=C/C3=CC=C(C=C3)NC(=O)C)/C1
InChI
InChI=1S/C25H26N2O3/c1-16-12-21(14-19-4-8-23(9-5-19)26-17(2)28)25(30)22(13-16)15-20-6-10-24(11-7-20)27-18(3)29/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)/b21-14+,22-15+
InChIKey
OXSDDPZXDPLBKP-NNFYUIBOSA-N
Compound name
N-[4-[(E)-[(3E)-3-[(4-acetamidophenyl)methylidene]-5-methyl-2-oxocyclohexylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 200.3
[M+Na]+ 425.18356 211.5
[M+NH4]+ 420.22816 205.7
[M+K]+ 441.15750 203.9
[M-H]- 401.18706 205.9
[M+Na-2H]- 423.16901 206.3
[M]+ 402.19379 203.1
[M]- 402.19489 203.1
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

patents stripe