CID 131770028

2-oxobrimonidine

Structural Information

Molecular Formula
C11H10BrN5O
SMILES
C1CN=C(N1)NC2=C(C3=C(C=C2)NC(=O)C=N3)Br
InChI
InChI=1S/C11H10BrN5O/c12-9-6(17-11-13-3-4-14-11)1-2-7-10(9)15-5-8(18)16-7/h1-2,5H,3-4H2,(H,16,18)(H2,13,14,17)
InChIKey
BUVCZMAMYHMOPB-UHFFFAOYSA-N
Compound name
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.00687 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.01415 157.4
[M+Na]+ 329.99609 169.4
[M-H]- 305.99959 160.6
[M+NH4]+ 325.04069 172.1
[M+K]+ 345.97003 155.6
[M+H-H2O]+ 290.00413 155.1
[M+HCOO]- 352.00507 173.1
[M+CH3COO]- 366.02072 169.5
[M+Na-2H]- 327.98154 164.8
[M]+ 307.00632 172.1
[M]- 307.00742 172.1
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.