CID 6914391

1-(p-propionylphenoxy)-3-(n-phenylpiperazinyl)propane 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]+ 410.25505 199.9
[M+Na]+ 432.23699 200.1
[M-H]- 408.24049 205.7
[M+NH4]+ 427.28159 206.0
[M+K]+ 448.21093 195.5
[M+H-H2O]+ 392.24503 187.2
[M+HCOO]- 454.24597 218.2
[M+CH3COO]- 468.26162 233.5
[M+Na-2H]- 430.22244 200.6
[M]+ 409.24722 195.7
[M]- 409.24832 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.