CID 3046455

Dan-2817

Structural Information

Molecular Formula
C27H33NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C(C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C27H33NO/c1-22-15-17-25(18-16-22)26(24-13-9-6-10-14-24)29-20-19-28(4)27(2,3)21-23-11-7-5-8-12-23/h5-18,26H,19-21H2,1-4H3
InChIKey
RAJSKYJUZRGDBY-UHFFFAOYSA-N
Compound name
N,2-dimethyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.25623 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.26351 200.0
[M+Na]+ 410.24545 202.3
[M-H]- 386.24895 209.4
[M+NH4]+ 405.29005 210.8
[M+K]+ 426.21939 197.8
[M+H-H2O]+ 370.25349 189.3
[M+HCOO]- 432.25443 220.2
[M+CH3COO]- 446.27008 229.1
[M+Na-2H]- 408.23090 201.9
[M]+ 387.25568 201.9
[M]- 387.25678 201.9
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.