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]+ 374.15331 184.9
[M+Na]+ 396.13525 196.4
[M+NH4]+ 391.17985 190.9
[M+K]+ 412.10919 188.5
[M-H]- 372.13875 188.8
[M+Na-2H]- 394.12070 192.8
[M]+ 373.14548 187.9
[M]- 373.14658 187.9
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.