CID 460910

Benzenesulfonamide, 4-methyl-n-[3-[[3-[[(4-methylphenyl)sulfonyl]amino]propyl](phenylmethyl)amino]propyl]-n-(2-propenyl)-

Structural Information

Molecular Formula
C30H39N3O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3
InChI
InChI=1S/C30H39N3O4S2/c1-4-21-33(39(36,37)30-18-14-27(3)15-19-30)24-9-23-32(25-28-10-6-5-7-11-28)22-8-20-31-38(34,35)29-16-12-26(2)13-17-29/h4-7,10-19,31H,1,8-9,20-25H2,2-3H3
InChIKey
SJPQQRJDDACEMB-UHFFFAOYSA-N
Compound name
N-[3-[benzyl-[3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]propyl]amino]propyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.2382 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.24548 238.1
[M+Na]+ 592.22742 238.9
[M-H]- 568.23092 246.9
[M+NH4]+ 587.27202 241.7
[M+K]+ 608.20136 232.2
[M+H-H2O]+ 552.23546 226.2
[M+HCOO]- 614.23640 249.8
[M+CH3COO]- 628.25205 260.7
[M+Na-2H]- 590.21287 239.8
[M]+ 569.23765 244.2
[M]- 569.23875 244.2
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.