CID 501371

Dimethyl-[3-([1,1'

Structural Information

Molecular Formula
C23H25NO
SMILES
CN(C)CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25NO/c1-24(2)17-6-18-25-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-16H,6,17-18H2,1-2H3
InChIKey
CQRBCOWHYNJGIS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[4-(4-phenylphenyl)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1936 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 182.6
[M+Na]+ 354.18282 187.5
[M-H]- 330.18632 192.8
[M+NH4]+ 349.22742 196.1
[M+K]+ 370.15676 182.8
[M+H-H2O]+ 314.19086 172.2
[M+HCOO]- 376.19180 206.7
[M+CH3COO]- 390.20745 217.3
[M+Na-2H]- 352.16827 186.2
[M]+ 331.19305 184.6
[M]- 331.19415 184.6
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.