CID 3049118

Brn 0572965

Structural Information

Molecular Formula
C19H24ClN3O2
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)N)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H24ClN3O2/c20-15-1-5-17(6-2-15)23-11-9-22(10-12-23)13-18(24)14-25-19-7-3-16(21)4-8-19/h1-8,18,24H,9-14,21H2
InChIKey
CLJHKCPULFSAIU-UHFFFAOYSA-N
Compound name
1-(4-aminophenoxy)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16298 185.6
[M+Na]+ 384.14492 189.8
[M-H]- 360.14842 189.4
[M+NH4]+ 379.18952 194.3
[M+K]+ 400.11886 183.3
[M+H-H2O]+ 344.15296 175.2
[M+HCOO]- 406.15390 196.2
[M+CH3COO]- 420.16955 213.3
[M+Na-2H]- 382.13037 185.9
[M]+ 361.15515 182.6
[M]- 361.15625 182.6
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.