CID 139597579

Benzenesulfonamide, n-[[[[(aminocarbonyl)amino]iminomethyl]amino]carbonyl]-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H10F3N5O4S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC(=O)NC(=N)NC(=O)N
InChI
InChI=1S/C10H10F3N5O4S/c11-10(12,13)5-3-1-2-4-6(5)23(21,22)18-9(20)17-7(14)16-8(15)19/h1-4H,(H6,14,15,16,17,18,19,20)
InChIKey
WBSGOTBBRAWAJI-UHFFFAOYSA-N
Compound name
1-(N-carbamoylcarbamimidoyl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

353.04056 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.04784 168.0
[M+Na]+ 376.02978 172.1
[M-H]- 352.03328 166.8
[M+NH4]+ 371.07438 178.6
[M+K]+ 392.00372 169.2
[M+H-H2O]+ 336.03782 157.7
[M+HCOO]- 398.03876 183.3
[M+CH3COO]- 412.05441 216.7
[M+Na-2H]- 374.01523 171.0
[M]+ 353.04001 160.9
[M]- 353.04111 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.