CID 101483266

182627-95-8

Structural Information

Molecular Formula
C11H10BrN5O2
SMILES
C1CN=C(N1)NC2=C(C3=C(C=C2)NC(=O)C(=O)N3)Br
InChI
InChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16)
InChIKey
HCKOHBASICGZOR-UHFFFAOYSA-N
Compound name
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0018 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00908 160.3
[M+Na]+ 345.99102 172.6
[M-H]- 321.99452 162.6
[M+NH4]+ 341.03562 173.8
[M+K]+ 361.96496 158.0
[M+H-H2O]+ 305.99906 158.2
[M+HCOO]- 368.00000 174.8
[M+CH3COO]- 382.01565 171.9
[M+Na-2H]- 343.97647 166.6
[M]+ 323.00125 174.3
[M]- 323.00235 174.3
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.