CID 3067504

Brn 5181849

Structural Information

Molecular Formula
C24H38N4O6S
SMILES
CCCCCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCCCCCC
InChI
InChI=1S/C24H38N4O6S/c1-3-5-7-9-11-17-25-21(29)23(31)27-19-13-15-20(16-14-19)35(33,34)28-24(32)22(30)26-18-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKey
KXKKCNGMHDXBGV-UHFFFAOYSA-N
Compound name
N-heptyl-N'-[4-[[2-(heptylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.25122 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.25850 223.3
[M+Na]+ 533.24044 221.2
[M-H]- 509.24394 224.0
[M+NH4]+ 528.28504 229.7
[M+K]+ 549.21438 217.9
[M+H-H2O]+ 493.24848 213.2
[M+HCOO]- 555.24942 230.7
[M+CH3COO]- 569.26507 249.1
[M+Na-2H]- 531.22589 220.6
[M]+ 510.25067 228.3
[M]- 510.25177 228.3
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.