CID 3067505

Brn 5192292

Structural Information

Molecular Formula
C30H50N4O6S
SMILES
CCCCCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCCCCCCCCC
InChI
InChI=1S/C30H50N4O6S/c1-3-5-7-9-11-13-15-17-23-31-27(35)29(37)33-25-19-21-26(22-20-25)41(39,40)34-30(38)28(36)32-24-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-24H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKey
FFRABUYXPOWROC-UHFFFAOYSA-N
Compound name
N-decyl-N'-[4-[[2-(decylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.3451 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.35238 244.8
[M+Na]+ 617.33432 257.5
[M-H]- 593.33782 247.9
[M+NH4]+ 612.37892 249.9
[M+K]+ 633.30826 250.4
[M+H-H2O]+ 577.34236 236.0
[M+HCOO]- 639.34330 248.7
[M+CH3COO]- 653.35895 266.1
[M+Na-2H]- 615.31977 242.0
[M]+ 594.34455 238.3
[M]- 594.34565 238.3
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.