CID 13507259

Brn 4558400

Structural Information

Molecular Formula
C19H24N4O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)/C(=N\N)/CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N4O2S/c1-26(24,25)18-9-7-16(8-10-18)19(21-20)15-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-10H,11-15,20H2,1H3/b21-19-
InChIKey
WHXFCYCUQSAIKV-VZCXRCSSSA-N
Compound name
(E)-[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethylidene]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.162 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16928 187.3
[M+Na]+ 395.15122 191.5
[M-H]- 371.15472 194.0
[M+NH4]+ 390.19582 196.2
[M+K]+ 411.12516 185.8
[M+H-H2O]+ 355.15926 176.8
[M+HCOO]- 417.16020 200.7
[M+CH3COO]- 431.17585 219.6
[M+Na-2H]- 393.13667 189.2
[M]+ 372.16145 184.2
[M]- 372.16255 184.2
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.