CID 9587993

Propiophenone, 4'-(3-(4-phenyl-1-piperazinyl)propoxy)-, oxime, dihydrochloride

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CC/C(=N/O)/C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O2/c1-2-22(23-26)19-9-11-21(12-10-19)27-18-6-13-24-14-16-25(17-15-24)20-7-4-3-5-8-20/h3-5,7-12,26H,2,6,13-18H2,1H3/b23-22-
InChIKey
YLHBIHNDHJEMIU-FCQUAONHSA-N
Compound name
(NZ)-N-[1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 191.3
[M+Na]+ 390.21520 193.3
[M-H]- 366.21870 196.3
[M+NH4]+ 385.25980 199.5
[M+K]+ 406.18914 188.0
[M+H-H2O]+ 350.22324 179.2
[M+HCOO]- 412.22418 207.8
[M+CH3COO]- 426.23983 218.8
[M+Na-2H]- 388.20065 192.6
[M]+ 367.22543 188.5
[M]- 367.22653 188.5
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.