CID 3040689

Brn 0836741

Structural Information

Molecular Formula
C21H27N3O2
SMILES
C1CN(CCN1CCO)C(=O)CCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c25-18-17-22-13-15-23(16-14-22)21(26)11-12-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2
InChIKey
CDUWZSVCKAAYRT-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.4
[M+Na]+ 376.19955 187.5
[M-H]- 352.20305 191.2
[M+NH4]+ 371.24415 194.7
[M+K]+ 392.17349 183.0
[M+H-H2O]+ 336.20759 174.5
[M+HCOO]- 398.20853 202.2
[M+CH3COO]- 412.22418 215.6
[M+Na-2H]- 374.18500 187.9
[M]+ 353.20978 182.2
[M]- 353.21088 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.