CID 52080

N-allyl-n-cyclohexyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C19H27NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CC=C)C2CCCCC2
InChI
InChI=1S/C19H27NO4/c1-5-11-20(15-9-7-6-8-10-15)19(21)14-12-16(22-2)18(24-4)17(13-14)23-3/h5,12-13,15H,1,6-11H2,2-4H3
InChIKey
GXTBHFVSSYGNSY-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3,4,5-trimethoxy-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 180.0
[M+Na]+ 356.18322 183.4
[M-H]- 332.18672 186.9
[M+NH4]+ 351.22782 193.8
[M+K]+ 372.15716 182.1
[M+H-H2O]+ 316.19126 171.4
[M+HCOO]- 378.19220 200.1
[M+CH3COO]- 392.20785 216.7
[M+Na-2H]- 354.16867 179.0
[M]+ 333.19345 181.9
[M]- 333.19455 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.