CID 10379205

2-propanol, 1-(3,5-dimethylphenoxy)-3-[(phenylmethyl)amino]-

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=CC(=CC(=C1)OCC(CNCC2=CC=CC=C2)O)C
InChI
InChI=1S/C18H23NO2/c1-14-8-15(2)10-18(9-14)21-13-17(20)12-19-11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3
InChIKey
HXKWENUENGDWEN-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 169.0
[M+Na]+ 308.162098 174.0
[M-H]- 284.165604 173.9
[M+NH4]+ 303.206703 183.7
[M+K]+ 324.136038 169.9
[M+H-H2O]+ 268.170140 160.9
[M+HCOO]- 330.171081 191.0
[M+CH3COO]- 344.186731 203.6
[M+Na-2H]- 306.147546 172.2
[M]+ 285.17233142 169.9
[M]- 285.17342858 169.9
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