CID 5747937

(z)-2-(4-methylpiperazin-1-yl)-1-(4-phenylthiophenyl)ethanone oxime hydrochloride

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

8
Patents

341.1562 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16348 180.0
[M+Na]+ 364.14542 184.1
[M-H]- 340.14892 185.7
[M+NH4]+ 359.19002 190.3
[M+K]+ 380.11936 178.0
[M+H-H2O]+ 324.15346 169.6
[M+HCOO]- 386.15440 192.6
[M+CH3COO]- 400.17005 188.3
[M+Na-2H]- 362.13087 180.7
[M]+ 341.15565 177.3
[M]- 341.15675 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