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

264
Patents

265.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 162.9
[M+Na]+ 288.15702 169.5
[M-H]- 264.16052 166.4
[M+NH4]+ 283.20162 179.8
[M+K]+ 304.13096 167.7
[M+H-H2O]+ 248.16506 156.0
[M+HCOO]- 310.16600 186.3
[M+CH3COO]- 324.18165 203.9
[M+Na-2H]- 286.14247 164.9
[M]+ 265.16725 168.4
[M]- 265.16835 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.