CID 213413

Propylamine, n,n-dimethyl-3-(o-(o-tolyloxy)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=CC=CC=C1OC2=CC=CC=C2OCCCN(C)C
InChI
InChI=1S/C18H23NO2/c1-15-9-4-5-10-16(15)21-18-12-7-6-11-17(18)20-14-8-13-19(2)3/h4-7,9-12H,8,13-14H2,1-3H3
InChIKey
JZDGKPHSQIVVEA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(2-methylphenoxy)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.8
[M+Na]+ 308.16210 174.7
[M-H]- 284.16560 176.5
[M+NH4]+ 303.20670 184.9
[M+K]+ 324.13604 172.3
[M+H-H2O]+ 268.17014 160.1
[M+HCOO]- 330.17108 193.8
[M+CH3COO]- 344.18673 208.6
[M+Na-2H]- 306.14755 172.8
[M]+ 285.17233 173.4
[M]- 285.17343 173.4
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

patents stripe