CID 481358

N-(benzenesulfonyl)-n,n'-bis(cyclopentylmethyl)-n'-(4-methoxyphenyl)sulfonyl-2-oxo-propanediamide

Structural Information

Molecular Formula
C28H34N2O8S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C(=O)C(=O)C(=O)N(CC3CCCC3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H34N2O8S2/c1-38-23-15-17-25(18-16-23)40(36,37)30(20-22-11-7-8-12-22)28(33)26(31)27(32)29(19-21-9-5-6-10-21)39(34,35)24-13-3-2-4-14-24/h2-4,13-18,21-22H,5-12,19-20H2,1H3
InChIKey
UYBNCFMNBWOXNP-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-N,N'-bis(cyclopentylmethyl)-N'-(4-methoxyphenyl)sulfonyl-2-oxopropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.17566 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.18294 238.2
[M+Na]+ 613.16488 235.9
[M-H]- 589.16838 250.5
[M+NH4]+ 608.20948 243.8
[M+K]+ 629.13882 235.9
[M+H-H2O]+ 573.17292 231.4
[M+HCOO]- 635.17386 246.0
[M+CH3COO]- 649.18951 254.1
[M+Na-2H]- 611.15033 235.9
[M]+ 590.17511 241.8
[M]- 590.17621 241.8
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.