CID 3060460

78140-08-6

Structural Information

Molecular Formula
C12H8N4O4S
SMILES
C1C(=O)NC(=O)N1C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O4S/c17-10-5-15(11(18)14-10)12-13-9(6-21-12)7-1-3-8(4-2-7)16(19)20/h1-4,6H,5H2,(H,14,17,18)
InChIKey
LWLAPCJDLIQABQ-UHFFFAOYSA-N
Compound name
1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03388 165.8
[M+Na]+ 327.01582 173.9
[M-H]- 303.01932 172.1
[M+NH4]+ 322.06042 179.0
[M+K]+ 342.98976 165.2
[M+H-H2O]+ 287.02386 162.4
[M+HCOO]- 349.02480 182.3
[M+CH3COO]- 363.04045 190.5
[M+Na-2H]- 325.00127 166.6
[M]+ 304.02605 163.4
[M]- 304.02715 163.4
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.