CID 388356

Nsc683240

Structural Information

Molecular Formula
C13H17N5O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC(=O)N)C(=O)NC(=O)N
InChI
InChI=1S/C13H17N5O6S/c14-12(21)16-10(19)7-6-9(11(20)17-13(15)22)18-25(23,24)8-4-2-1-3-5-8/h1-5,9,18H,6-7H2,(H3,14,16,19,21)(H3,15,17,20,22)
InChIKey
PKSDWZOTBKOKES-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)-N,N'-dicarbamoylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08997 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09725 179.4
[M+Na]+ 394.07919 179.9
[M-H]- 370.08269 180.7
[M+NH4]+ 389.12379 188.2
[M+K]+ 410.05313 178.9
[M+H-H2O]+ 354.08723 170.4
[M+HCOO]- 416.08817 196.3
[M+CH3COO]- 430.10382 222.8
[M+Na-2H]- 392.06464 179.7
[M]+ 371.08942 176.9
[M]- 371.09052 176.9
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.