CID 5747937

Ethanone, 2-(4-methyl-1-piperazinyl)-1-(4-(phenylthio)phenyl)-, oxime, monohydrochloride, (z)-

Structural Information

Molecular Formula
C19H23N3OS
SMILES
CN1CCN(CC1)C/C(=N\O)/C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H23N3OS/c1-21-11-13-22(14-12-21)15-19(20-23)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3/b20-19+
InChIKey
MOBILCWUMHLVOV-FMQUCBEESA-N
Compound name
(NZ)-N-[2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

341.1562 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.163476 180.0
[M+Na]+ 364.145418 184.1
[M-H]- 340.148924 185.7
[M+NH4]+ 359.190023 190.3
[M+K]+ 380.119358 178.0
[M+H-H2O]+ 324.153460 169.6
[M+HCOO]- 386.154401 192.6
[M+CH3COO]- 400.170051 188.3
[M+Na-2H]- 362.130866 180.7
[M]+ 341.15565142 177.3
[M]- 341.15674858 177.3
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

patents stripe