CID 24843950

Propiophenone, 3-(4-propionyl-1-piperazinyl)-, o-(p-methoxycarbaniloyl)oxime, hydrochloride

Structural Information

Molecular Formula
C24H30N4O4
SMILES
CCC(=O)N1CCN(CC1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3
InChI
InChI=1S/C24H30N4O4/c1-3-23(29)28-17-15-27(16-18-28)14-13-22(19-7-5-4-6-8-19)26-32-24(30)25-20-9-11-21(31-2)12-10-20/h4-12H,3,13-18H2,1-2H3,(H,25,30)/b26-22-
InChIKey
ALEJHZGSALSVKP-ROMGYVFFSA-N
Compound name
[(Z)-[1-phenyl-3-(4-propanoylpiperazin-1-yl)propylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.2267 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23398 206.4
[M+Na]+ 461.21592 206.8
[M-H]- 437.21942 212.7
[M+NH4]+ 456.26052 211.6
[M+K]+ 477.18986 203.6
[M+H-H2O]+ 421.22396 193.7
[M+HCOO]- 483.22490 223.5
[M+CH3COO]- 497.24055 234.9
[M+Na-2H]- 459.20137 206.0
[M]+ 438.22615 205.5
[M]- 438.22725 205.5
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.