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]+ 340.23833 183.9
[M+Na]+ 362.22027 185.2
[M-H]- 338.22377 188.6
[M+NH4]+ 357.26487 193.0
[M+K]+ 378.19421 180.0
[M+H-H2O]+ 322.22831 172.0
[M+HCOO]- 384.22925 200.3
[M+CH3COO]- 398.24490 214.0
[M+Na-2H]- 360.20572 186.5
[M]+ 339.23050 179.7
[M]- 339.23160 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.