CID 417444

74037-85-7

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC(=C3)OC)O
InChI
InChI=1S/C21H28N2O3/c1-17-6-3-4-9-21(17)23-12-10-22(11-13-23)15-18(24)16-26-20-8-5-7-19(14-20)25-2/h3-9,14,18,24H,10-13,15-16H2,1-2H3
InChIKey
WRDCERXUNUMFHI-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.2
[M+Na]+ 379.19922 191.4
[M-H]- 355.20272 192.4
[M+NH4]+ 374.24382 196.7
[M+K]+ 395.17316 186.9
[M+H-H2O]+ 339.20726 176.9
[M+HCOO]- 401.20820 202.4
[M+CH3COO]- 415.22385 213.2
[M+Na-2H]- 377.18467 188.2
[M]+ 356.20945 186.4
[M]- 356.21055 186.4
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

No patent data available for this compound.