CID 24843945

3-(1-piperazinyl)propiophenone o-(p-methoxycarbaniloyl)oxime dihydrochloride

Structural Information

Molecular Formula
C21H26N4O3
SMILES
COC1=CC=C(C=C1)NC(=O)O/N=C(/CCN2CCNCC2)\C3=CC=CC=C3
InChI
InChI=1S/C21H26N4O3/c1-27-19-9-7-18(8-10-19)23-21(26)28-24-20(17-5-3-2-4-6-17)11-14-25-15-12-22-13-16-25/h2-10,22H,11-16H2,1H3,(H,23,26)/b24-20-
InChIKey
TWYXRNQPEKQGND-GFMRDNFCSA-N
Compound name
[(Z)-(1-phenyl-3-piperazin-1-ylpropylidene)amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 193.0
[M+Na]+ 405.18972 202.9
[M+NH4]+ 400.23432 198.2
[M+K]+ 421.16366 196.4
[M-H]- 381.19322 197.5
[M+Na-2H]- 403.17517 200.4
[M]+ 382.19995 195.2
[M]- 382.20105 195.2
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.