CID 23481

Trimoxamine

Structural Information

Molecular Formula
C15H23NO3
SMILES
CNC(CC=C)CC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C15H23NO3/c1-6-7-12(16-2)8-11-9-13(17-3)15(19-5)14(10-11)18-4/h6,9-10,12,16H,1,7-8H2,2-5H3
InChIKey
BNRACCFKZQGPAB-UHFFFAOYSA-N
Compound name
N-methyl-1-(3,4,5-trimethoxyphenyl)pent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

265.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 162.9
[M+Na]+ 288.157018 169.5
[M-H]- 264.160524 166.4
[M+NH4]+ 283.201623 179.8
[M+K]+ 304.130958 167.7
[M+H-H2O]+ 248.165060 156.0
[M+HCOO]- 310.166001 186.3
[M+CH3COO]- 324.181651 203.9
[M+Na-2H]- 286.142466 164.9
[M]+ 265.16725142 168.4
[M]- 265.16834858 168.4
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.