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]+ 286.180156 168.8
[M+Na]+ 308.162098 174.7
[M-H]- 284.165604 176.5
[M+NH4]+ 303.206703 184.9
[M+K]+ 324.136038 172.3
[M+H-H2O]+ 268.170140 160.1
[M+HCOO]- 330.171081 193.8
[M+CH3COO]- 344.186731 208.6
[M+Na-2H]- 306.147546 172.8
[M]+ 285.17233142 173.4
[M]- 285.17342858 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