CID 24843945

Propiophenone, 3-(1-piperazinyl)-, 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]+ 383.207776 190.5
[M+Na]+ 405.189718 191.1
[M-H]- 381.193224 195.5
[M+NH4]+ 400.234323 197.3
[M+K]+ 421.163658 186.9
[M+H-H2O]+ 365.197760 178.4
[M+HCOO]- 427.198701 207.9
[M+CH3COO]- 441.214351 220.9
[M+Na-2H]- 403.175166 193.0
[M]+ 382.19995142 186.3
[M]- 382.20104858 186.3
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.