CID 3057315

1-(4-(2-methoxyethyl)phenoxy)-3-((3-phenylpropyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C21H29NO3
SMILES
COCCC1=CC=C(C=C1)OCC(CNCCCC2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO3/c1-24-15-13-19-9-11-21(12-10-19)25-17-20(23)16-22-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,22-23H,5,8,13-17H2,1H3
InChIKey
FHOOSPUQPXGCJK-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyethyl)phenoxy]-3-(3-phenylpropylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

343.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.4
[M+Na]+ 366.20397 187.8
[M-H]- 342.20747 189.2
[M+NH4]+ 361.24857 197.1
[M+K]+ 382.17791 183.7
[M+H-H2O]+ 326.21201 176.0
[M+HCOO]- 388.21295 206.4
[M+CH3COO]- 402.22860 213.4
[M+Na-2H]- 364.18942 187.6
[M]+ 343.21420 188.2
[M]- 343.21530 188.2
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