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]+ 342.24275 187.7
[M+Na]+ 364.22469 191.4
[M-H]- 340.22819 194.6
[M+NH4]+ 359.26929 201.3
[M+K]+ 380.19863 188.7
[M+H-H2O]+ 324.23273 178.2
[M+HCOO]- 386.23367 210.2
[M+CH3COO]- 400.24932 221.3
[M+Na-2H]- 362.21014 188.2
[M]+ 341.23492 193.0
[M]- 341.23602 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.