CID 217357

2-p-bromophenyl-9-diethylaminoethylimidazo(1,2-a)benzimidazole dihydrochloride

Structural Information

Molecular Formula
C21H23BrN4
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H23BrN4/c1-3-24(4-2)13-14-25-19-7-5-6-8-20(19)26-15-18(23-21(25)26)16-9-11-17(22)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey
QKUKAUMQYLTFKF-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1106 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11788 193.7
[M+Na]+ 433.09982 206.9
[M-H]- 409.10332 203.3
[M+NH4]+ 428.14442 210.7
[M+K]+ 449.07376 194.1
[M+H-H2O]+ 393.10786 190.7
[M+HCOO]- 455.10880 214.7
[M+CH3COO]- 469.12445 206.5
[M+Na-2H]- 431.08527 197.4
[M]+ 410.11005 218.6
[M]- 410.11115 218.6
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

patents stripe