CID 3040727

1-piperazineethanol, 4-(3-(diphenylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H29N3O
SMILES
C1CN(CCN1CCCN(C2=CC=CC=C2)C3=CC=CC=C3)CCO
InChI
InChI=1S/C21H29N3O/c25-19-18-23-16-14-22(15-17-23)12-7-13-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,25H,7,12-19H2
InChIKey
QSQRJTFTTWOQSY-UHFFFAOYSA-N
Compound name
2-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 183.9
[M+Na]+ 362.220268 185.2
[M-H]- 338.223774 188.6
[M+NH4]+ 357.264873 193.0
[M+K]+ 378.194208 180.0
[M+H-H2O]+ 322.228310 172.0
[M+HCOO]- 384.229251 200.3
[M+CH3COO]- 398.244901 214.0
[M+Na-2H]- 360.205716 186.5
[M]+ 339.23050142 179.7
[M]- 339.23159858 179.7
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.