CID 5326978

N1,n2-ethylene-2-methylamino-4,5,6,7-tetrabromo-benzimidazole

Structural Information

Molecular Formula
C10H7Br4N3
SMILES
CN1CCN2C1=NC3=C2C(=C(C(=C3Br)Br)Br)Br
InChI
InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3
InChIKey
QHCZROILDUNGRT-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

484.73734 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.74462 147.2
[M+Na]+ 507.72656 155.2
[M-H]- 483.73006 151.6
[M+NH4]+ 502.77116 158.2
[M+K]+ 523.70050 144.0
[M+H-H2O]+ 467.73460 166.5
[M+HCOO]- 529.73554 153.1
[M+CH3COO]- 543.75119 155.7
[M+Na-2H]- 505.71201 150.2
[M]+ 484.73679 186.8
[M]- 484.73789 186.8
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