CID 4118188

Akos024365123

Structural Information

Molecular Formula
C12H7BrN4O
SMILES
C1=CN2C(=C(N=C2N=C1)C3=CC=C(C=C3)Br)N=O
InChI
InChI=1S/C12H7BrN4O/c13-9-4-2-8(3-5-9)10-11(16-18)17-7-1-6-14-12(17)15-10/h1-7H
InChIKey
WDQHAMWPYJUNPA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.98032 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98760 154.2
[M+Na]+ 324.96954 169.1
[M-H]- 300.97304 163.0
[M+NH4]+ 320.01414 172.5
[M+K]+ 340.94348 157.4
[M+H-H2O]+ 284.97758 151.8
[M+HCOO]- 346.97852 177.7
[M+CH3COO]- 360.99417 169.7
[M+Na-2H]- 322.95499 164.3
[M]+ 301.97977 176.6
[M]- 301.98087 176.6
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.