CID 28819039

1000932-35-3

Structural Information

Molecular Formula
C10H6BrN3
SMILES
C1=CC=C2C(=C1)N=C3N2C=C(C=N3)Br
InChI
InChI=1S/C10H6BrN3/c11-7-5-12-10-13-8-3-1-2-4-9(8)14(10)6-7/h1-6H
InChIKey
VEXDSLZOKLRXIT-UHFFFAOYSA-N
Compound name
3-bromopyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.9745 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98178 143.0
[M+Na]+ 269.96372 158.6
[M-H]- 245.96722 148.4
[M+NH4]+ 265.00832 164.4
[M+K]+ 285.93766 146.8
[M+H-H2O]+ 229.97176 142.4
[M+HCOO]- 291.97270 163.2
[M+CH3COO]- 305.98835 158.8
[M+Na-2H]- 267.94917 154.3
[M]+ 246.97395 164.0
[M]- 246.97505 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe