CID 3060462

78140-10-0

Structural Information

Molecular Formula
C12H7BrN4O4S
SMILES
C1C(=O)NC(=O)N1C2=NC(=CS2)C3=C(C=C(C=C3)[N+](=O)[O-])Br
InChI
InChI=1S/C12H7BrN4O4S/c13-8-3-6(17(20)21)1-2-7(8)9-5-22-12(14-9)16-4-10(18)15-11(16)19/h1-3,5H,4H2,(H,15,18,19)
InChIKey
VNWYXQHZACIPIZ-UHFFFAOYSA-N
Compound name
1-[4-(2-bromo-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

381.93713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.94441 168.9
[M+Na]+ 404.92635 180.9
[M-H]- 380.92985 178.1
[M+NH4]+ 399.97095 183.5
[M+K]+ 420.90029 164.7
[M+H-H2O]+ 364.93439 172.2
[M+HCOO]- 426.93533 183.9
[M+CH3COO]- 440.95098 200.8
[M+Na-2H]- 402.91180 171.4
[M]+ 381.93658 186.4
[M]- 381.93768 186.4
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.