CID 388355

Nsc683239

Structural Information

Molecular Formula
C24H27N5O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NNC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3
InChI
InChI=1S/C24H27N5O4S/c1-18-12-14-21(15-13-18)34(32,33)29-22(24(31)28-26-20-10-6-3-7-11-20)16-17-23(30)27-25-19-8-4-2-5-9-19/h2-15,22,25-26,29H,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKey
WUSZCROEPZAEDE-UHFFFAOYSA-N
Compound name
N-[1,5-dioxo-1,5-bis(2-phenylhydrazinyl)pentan-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.17838 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.18566 207.7
[M+Na]+ 504.16760 207.3
[M-H]- 480.17110 215.4
[M+NH4]+ 499.21220 212.4
[M+K]+ 520.14154 202.9
[M+H-H2O]+ 464.17564 196.6
[M+HCOO]- 526.17658 226.5
[M+CH3COO]- 540.19223 245.6
[M+Na-2H]- 502.15305 212.5
[M]+ 481.17783 206.8
[M]- 481.17893 206.8
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.