CID 213388

Brn 2147136

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OC(C)CN(C(C)C)C(C)C
InChI
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)15-19(6)24-21-13-9-10-14-22(21)25-20-12-8-7-11-18(20)5/h7-14,16-17,19H,15H2,1-6H3
InChIKey
RYRYZEHIFNUTJM-UHFFFAOYSA-N
Compound name
2-[2-(2-methylphenoxy)phenoxy]-N,N-di(propan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 187.3
[M+Na]+ 364.224688 190.5
[M-H]- 340.228194 194.5
[M+NH4]+ 359.269293 200.8
[M+K]+ 380.198628 189.0
[M+H-H2O]+ 324.232730 178.3
[M+HCOO]- 386.233671 207.8
[M+CH3COO]- 400.249321 223.1
[M+Na-2H]- 362.210136 185.6
[M]+ 341.23492142 191.5
[M]- 341.23601858 191.5
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.