CID 3046453

Dan-2814

Structural Information

Molecular Formula
C27H31NO2
SMILES
CC(COC1=CC=CC=C1CC=C)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H31NO2/c1-3-12-23-13-10-11-18-26(23)30-21-22(2)28-19-20-29-27(24-14-6-4-7-15-24)25-16-8-5-9-17-25/h3-11,13-18,22,27-28H,1,12,19-21H2,2H3
InChIKey
KKGYCUBXRHZMSF-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-1-(2-prop-2-enylphenoxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23547 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.242746 202.7
[M+Na]+ 424.224688 204.1
[M-H]- 400.228194 210.3
[M+NH4]+ 419.269293 211.8
[M+K]+ 440.198628 198.3
[M+H-H2O]+ 384.232730 191.5
[M+HCOO]- 446.233671 223.2
[M+CH3COO]- 460.249321 227.5
[M+Na-2H]- 422.210136 203.3
[M]+ 401.23492142 203.7
[M]- 401.23601858 203.7
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.