CID 5357284

Morpholine, 4-(1,2-di(p-toluoyl)vinyl)-

Structural Information

Molecular Formula
C22H23NO3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C(/C(=O)C2=CC=C(C=C2)C)\N3CCOCC3
InChI
InChI=1S/C22H23NO3/c1-16-3-7-18(8-4-16)21(24)15-20(23-11-13-26-14-12-23)22(25)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3/b20-15-
InChIKey
FWGYGNSDPBEBCY-HKWRFOASSA-N
Compound name
(Z)-1,4-bis(4-methylphenyl)-2-morpholin-4-ylbut-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.175076 184.9
[M+Na]+ 372.157018 188.0
[M-H]- 348.160524 192.5
[M+NH4]+ 367.201623 194.0
[M+K]+ 388.130958 184.7
[M+H-H2O]+ 332.165060 174.7
[M+HCOO]- 394.166001 199.5
[M+CH3COO]- 408.181651 213.8
[M+Na-2H]- 370.142466 184.0
[M]+ 349.16725142 181.9
[M]- 349.16834858 181.9
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.