CID 3079257

Brn 4217621

Structural Information

Molecular Formula
C15H17N5O6S2
SMILES
COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2
InChI
InChI=1S/C15H17N5O6S2/c1-26-15(23)17-10-2-4-11(5-3-10)28(24,25)20-19-13(22)7-6-12(21)18-14-16-8-9-27-14/h2-5,8-9,20H,6-7H2,1H3,(H,17,23)(H,19,22)(H,16,18,21)
InChIKey
XTJPQRUBEQTJDS-UHFFFAOYSA-N
Compound name
methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.062 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.06928 193.1
[M+Na]+ 450.05122 195.7
[M-H]- 426.05472 197.4
[M+NH4]+ 445.09582 201.6
[M+K]+ 466.02516 192.0
[M+H-H2O]+ 410.05926 184.3
[M+HCOO]- 472.06020 206.9
[M+CH3COO]- 486.07585 226.4
[M+Na-2H]- 448.03667 196.3
[M]+ 427.06145 196.2
[M]- 427.06255 196.2
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.