CID 131770029

3-oxobrimonidine

Structural Information

Molecular Formula
C11H12BrN5O
SMILES
C1CN=C(N1)NC2=C(C3=C(C=C2)NCC(=O)N3)Br
InChI
InChI=1S/C11H12BrN5O/c12-9-6(16-11-13-3-4-14-11)1-2-7-10(9)17-8(18)5-15-7/h1-2,15H,3-5H2,(H,17,18)(H2,13,14,16)
InChIKey
VYULKJXHCILWPG-UHFFFAOYSA-N
Compound name
8-bromo-7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.02252 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02980 160.9
[M+Na]+ 332.01174 170.7
[M-H]- 308.01524 162.1
[M+NH4]+ 327.05634 174.7
[M+K]+ 347.98568 156.4
[M+H-H2O]+ 292.01978 158.7
[M+HCOO]- 354.02072 172.5
[M+CH3COO]- 368.03637 171.3
[M+Na-2H]- 329.99719 165.9
[M]+ 309.02197 171.3
[M]- 309.02307 171.3
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

patents stripe