CID 213387

Brn 2302570

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCCN(CCC)CC(C)OC1=CC=CC=C1OC2=CC=CC=C2C
InChI
InChI=1S/C22H31NO2/c1-5-15-23(16-6-2)17-19(4)24-21-13-9-10-14-22(21)25-20-12-8-7-11-18(20)3/h7-14,19H,5-6,15-17H2,1-4H3
InChIKey
UZVRLVJVXSIVLZ-UHFFFAOYSA-N
Compound name
2-[2-(2-methylphenoxy)phenoxy]-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 187.7
[M+Na]+ 364.224688 191.4
[M-H]- 340.228194 194.6
[M+NH4]+ 359.269293 201.3
[M+K]+ 380.198628 188.7
[M+H-H2O]+ 324.232730 178.2
[M+HCOO]- 386.233671 210.2
[M+CH3COO]- 400.249321 221.3
[M+Na-2H]- 362.210136 188.2
[M]+ 341.23492142 193.0
[M]- 341.23601858 193.0
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.