CID 3085500

Ethanaminium, 2-((2-cyano-3-(4-(ethyl(phenylmethyl)amino)-2-methylphenyl)-1-oxo-2-propen-1-yl)oxy)-n,n,n-trimethyl-, chloride (1:1)

Structural Information

Molecular Formula
C25H32N3O2
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C25H32N3O2/c1-6-27(19-21-10-8-7-9-11-21)24-13-12-22(20(2)16-24)17-23(18-26)25(29)30-15-14-28(3,4)5/h7-13,16-17H,6,14-15,19H2,1-5H3/q+1
InChIKey
QNEPVDRMZTWPCG-UHFFFAOYSA-N
Compound name
2-[3-[4-[benzyl(ethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.24945 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25673 201.5
[M+Na]+ 429.23867 213.3
[M+NH4]+ 424.28327 205.1
[M+K]+ 445.21261 203.5
[M-H]- 405.24217 199.8
[M+Na-2H]- 427.22412 205.9
[M]+ 406.24890 202.2
[M]- 406.25000 202.2
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.