CID 6914391

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

Structural Information

Molecular Formula
C23H31N5O2
SMILES
CC/C(=N/NC(=O)N)/C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N5O2/c1-2-22(25-26-23(24)29)19-9-11-21(12-10-19)30-18-6-13-27-14-16-28(17-15-27)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3,(H3,24,26,29)/b25-22-
InChIKey
JBKVZJAWCQXKQR-LVWGJNHUSA-N
Compound name
[(Z)-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.24777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.255046 199.9
[M+Na]+ 432.236988 200.1
[M-H]- 408.240494 205.7
[M+NH4]+ 427.281593 206.0
[M+K]+ 448.210928 195.5
[M+H-H2O]+ 392.245030 187.2
[M+HCOO]- 454.245971 218.2
[M+CH3COO]- 468.261621 233.5
[M+Na-2H]- 430.222436 200.6
[M]+ 409.24722142 195.7
[M]- 409.24831858 195.7
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.