CID 14928440

1391054-10-6

Structural Information

Molecular Formula
C11H12BrN5O
SMILES
C1=CC2=NC=CN=C2C(=C1NC(=O)NCCN)Br
InChI
InChI=1S/C11H12BrN5O/c12-9-7(17-11(18)16-4-3-13)1-2-8-10(9)15-6-5-14-8/h1-2,5-6H,3-4,13H2,(H2,16,17,18)
InChIKey
DGWNPILVHZDPMZ-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-(5-bromoquinoxalin-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.02252 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02980 156.6
[M+Na]+ 332.01174 166.3
[M-H]- 308.01524 160.5
[M+NH4]+ 327.05634 172.3
[M+K]+ 347.98568 153.7
[M+H-H2O]+ 292.01978 153.3
[M+HCOO]- 354.02072 176.9
[M+CH3COO]- 368.03637 206.6
[M+Na-2H]- 329.99719 165.6
[M]+ 309.02197 173.1
[M]- 309.02307 173.1
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.