CID 3049778

Dan-2816

Structural Information

Molecular Formula
C26H31NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNC(C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C26H31NO/c1-21-14-16-24(17-15-21)25(23-12-8-5-9-13-23)28-19-18-27-26(2,3)20-22-10-6-4-7-11-22/h4-17,25,27H,18-20H2,1-3H3
InChIKey
LBWXYMXQTAQENF-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24057 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24785 195.4
[M+Na]+ 396.22979 198.0
[M-H]- 372.23329 203.5
[M+NH4]+ 391.27439 206.2
[M+K]+ 412.20373 192.3
[M+H-H2O]+ 356.23783 185.1
[M+HCOO]- 418.23877 215.4
[M+CH3COO]- 432.25442 222.9
[M+Na-2H]- 394.21524 198.6
[M]+ 373.24002 195.7
[M]- 373.24112 195.7
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.