CID 3050285

Morpholine, 4-(2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)benzoyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H30N4O2
SMILES
C1CN(CCN1CCNC2=CC=CC=C2C(=O)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N4O2/c28-23(27-16-18-29-19-17-27)21-8-4-5-9-22(21)24-10-11-25-12-14-26(15-13-25)20-6-2-1-3-7-20/h1-9,24H,10-19H2
InChIKey
CSCCCDKFTJMIBX-UHFFFAOYSA-N
Compound name
morpholin-4-yl-[2-[2-(4-phenylpiperazin-1-yl)ethylamino]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.23688 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 197.9
[M+Na]+ 417.22610 197.7
[M-H]- 393.22960 204.1
[M+NH4]+ 412.27070 201.1
[M+K]+ 433.20004 192.9
[M+H-H2O]+ 377.23414 183.7
[M+HCOO]- 439.23508 208.4
[M+CH3COO]- 453.25073 203.0
[M+Na-2H]- 415.21155 198.4
[M]+ 394.23633 189.4
[M]- 394.23743 189.4
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

patents stripe