CID 217361

38652-53-8

Structural Information

Molecular Formula
C20H21BrN4
SMILES
CN(C)CCCN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H21BrN4/c1-23(2)12-5-13-24-18-6-3-4-7-19(18)25-14-17(22-20(24)25)15-8-10-16(21)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKey
ZIYVPLKQAPRRCU-UHFFFAOYSA-N
Compound name
3-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.09497 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10225 189.1
[M+Na]+ 419.08419 202.8
[M-H]- 395.08769 198.9
[M+NH4]+ 414.12879 206.7
[M+K]+ 435.05813 190.2
[M+H-H2O]+ 379.09223 186.4
[M+HCOO]- 441.09317 210.5
[M+CH3COO]- 455.10882 202.4
[M+Na-2H]- 417.06964 193.4
[M]+ 396.09442 213.8
[M]- 396.09552 213.8
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

patents stripe