CID 99096

64511-27-9

Structural Information

Molecular Formula
C19H25N3O2
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)N)O)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9,18,23H,10-15,20H2
InChIKey
FOIJILXQFMCPQD-UHFFFAOYSA-N
Compound name
1-(4-aminophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 179.2
[M+Na]+ 350.18389 181.7
[M-H]- 326.18739 182.9
[M+NH4]+ 345.22849 188.1
[M+K]+ 366.15783 176.6
[M+H-H2O]+ 310.19193 168.1
[M+HCOO]- 372.19287 194.4
[M+CH3COO]- 386.20852 208.5
[M+Na-2H]- 348.16934 180.7
[M]+ 327.19412 173.4
[M]- 327.19522 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