CID 3040707

Brn 0833104

Structural Information

Molecular Formula
C21H27N3O2
SMILES
C1CN(CCN1CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)CCO
InChI
InChI=1S/C21H27N3O2/c25-18-17-23-15-13-22(14-16-23)12-11-21(26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2
InChIKey
OKUBTROXQSDBAJ-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-diphenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.217606 186.4
[M+Na]+ 376.199548 187.5
[M-H]- 352.203054 191.2
[M+NH4]+ 371.244153 194.7
[M+K]+ 392.173488 183.0
[M+H-H2O]+ 336.207590 174.5
[M+HCOO]- 398.208531 202.2
[M+CH3COO]- 412.224181 215.6
[M+Na-2H]- 374.184996 187.9
[M]+ 353.20978142 182.2
[M]- 353.21087858 182.2
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.