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]+ 402.24275 202.7
[M+Na]+ 424.22469 204.1
[M-H]- 400.22819 210.3
[M+NH4]+ 419.26929 211.8
[M+K]+ 440.19863 198.3
[M+H-H2O]+ 384.23273 191.5
[M+HCOO]- 446.23367 223.2
[M+CH3COO]- 460.24932 227.5
[M+Na-2H]- 422.21014 203.3
[M]+ 401.23492 203.7
[M]- 401.23602 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.