CID 6448032

M.g. 1220

Structural Information

Molecular Formula
C21H27NO
SMILES
CCN(CC)CC(C)OC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-4-22(5-2)17-18(3)23-21-15-13-20(14-16-21)12-11-19-9-7-6-8-10-19/h6-16,18H,4-5,17H2,1-3H3/b12-11+
InChIKey
DMJWYNFGRYMAGE-VAWYXSNFSA-N
Compound name
N,N-diethyl-2-[4-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.20926 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.9
[M+Na]+ 332.19848 182.7
[M-H]- 308.20198 185.8
[M+NH4]+ 327.24308 193.7
[M+K]+ 348.17242 178.9
[M+H-H2O]+ 292.20652 169.8
[M+HCOO]- 354.20746 201.8
[M+CH3COO]- 368.22311 213.8
[M+Na-2H]- 330.18393 180.7
[M]+ 309.20871 181.3
[M]- 309.20981 181.3
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

patents stripe