CID 13507256

104058-01-7

Structural Information

Molecular Formula
C19H23N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)/C(=N\O)/CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O3S/c1-26(24,25)18-9-7-16(8-10-18)19(20-23)15-21-11-13-22(14-12-21)17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3/b20-19-
InChIKey
GPERDGVFKOEONF-VXPUYCOJSA-N
Compound name
(NE)-N-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.153306 187.0
[M+Na]+ 396.135248 191.4
[M-H]- 372.138754 193.0
[M+NH4]+ 391.179853 195.7
[M+K]+ 412.109188 186.0
[M+H-H2O]+ 356.143290 176.9
[M+HCOO]- 418.144231 198.7
[M+CH3COO]- 432.159881 214.8
[M+Na-2H]- 394.120696 188.9
[M]+ 373.14548142 185.1
[M]- 373.14657858 185.1
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.