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]+ 342.24275 187.3
[M+Na]+ 364.22469 190.5
[M-H]- 340.22819 194.5
[M+NH4]+ 359.26929 200.8
[M+K]+ 380.19863 189.0
[M+H-H2O]+ 324.23273 178.3
[M+HCOO]- 386.23367 207.8
[M+CH3COO]- 400.24932 223.1
[M+Na-2H]- 362.21014 185.6
[M]+ 341.23492 191.5
[M]- 341.23602 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.