CID 3070150

Butanediamide, n-(3-hydroxypropyl)-n'-(4-((((oxo(2-phenylethyl)amino)acetyl)amino)sulfonyl)phenyl)-

Structural Information

Molecular Formula
C23H28N4O7S
SMILES
C1=CC=C(C=C1)CCNC(=O)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)NCCCO
InChI
InChI=1S/C23H28N4O7S/c28-16-4-14-24-20(29)11-12-21(30)26-18-7-9-19(10-8-18)35(33,34)27-23(32)22(31)25-15-13-17-5-2-1-3-6-17/h1-3,5-10,28H,4,11-16H2,(H,24,29)(H,25,31)(H,26,30)(H,27,32)
InChIKey
SBVSHDFLNAACLL-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)-N'-[4-[[2-oxo-2-(2-phenylethylamino)acetyl]sulfamoyl]phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16788 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17516 214.8
[M+Na]+ 527.15710 213.3
[M-H]- 503.16060 217.9
[M+NH4]+ 522.20170 218.2
[M+K]+ 543.13104 210.3
[M+H-H2O]+ 487.16514 204.4
[M+HCOO]- 549.16608 230.0
[M+CH3COO]- 563.18173 243.5
[M+Na-2H]- 525.14255 215.7
[M]+ 504.16733 216.6
[M]- 504.16843 216.6
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.