CID 6075181

624726-82-5

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)NCC(C)C
InChI
InChI=1S/C23H28N2O4/c1-15(2)14-24-23(27)19(25-22(26)18-9-6-16(3)7-10-18)12-17-8-11-20(28-4)21(13-17)29-5/h6-13,15H,14H2,1-5H3,(H,24,27)(H,25,26)/b19-12-
InChIKey
DEVSLQBCZZQURG-UNOMPAQXSA-N
Compound name
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-(2-methylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 198.7
[M+Na]+ 419.194118 201.8
[M-H]- 395.197624 204.7
[M+NH4]+ 414.238723 208.9
[M+K]+ 435.168058 199.1
[M+H-H2O]+ 379.202160 189.4
[M+HCOO]- 441.203101 219.4
[M+CH3COO]- 455.218751 230.1
[M+Na-2H]- 417.179566 196.0
[M]+ 396.20435142 201.5
[M]- 396.20544858 201.5
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.