CID 9841596

Ne-100

Structural Information

Molecular Formula
C23H33NO2
SMILES
CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2
InChI
InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
InChIKey
YBLIQJGXRLZBCZ-UHFFFAOYSA-N
Compound name
N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

118
References

121
Patents

355.25113 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 192.0
[M+Na]+ 378.24035 195.5
[M-H]- 354.24385 198.6
[M+NH4]+ 373.28495 205.0
[M+K]+ 394.21429 192.0
[M+H-H2O]+ 338.24839 182.1
[M+HCOO]- 400.24933 215.1
[M+CH3COO]- 414.26498 223.4
[M+Na-2H]- 376.22580 193.1
[M]+ 355.25058 198.2
[M]- 355.25168 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe