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]+ 383.20778 190.5
[M+Na]+ 405.18972 191.1
[M-H]- 381.19322 195.5
[M+NH4]+ 400.23432 197.3
[M+K]+ 421.16366 186.9
[M+H-H2O]+ 365.19776 178.4
[M+HCOO]- 427.19870 207.9
[M+CH3COO]- 441.21435 220.9
[M+Na-2H]- 403.17517 193.0
[M]+ 382.19995 186.3
[M]- 382.20105 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.