CID 456210

139223-26-0

Structural Information

Molecular Formula
C23H24N8
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)CCCC4=NC5=C(N4)C=C(C=C5)C6=NCCN6
InChI
InChI=1S/C23H24N8/c1(2-20-28-16-6-4-14(12-18(16)30-20)22-24-8-9-25-22)3-21-29-17-7-5-15(13-19(17)31-21)23-26-10-11-27-23/h4-7,12-13H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,30)(H,29,31)
InChIKey
PUSQRRMRWCKSQL-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

412.2124 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21968 188.8
[M+Na]+ 435.20162 197.3
[M-H]- 411.20512 192.3
[M+NH4]+ 430.24622 195.0
[M+K]+ 451.17556 187.9
[M+H-H2O]+ 395.20966 178.1
[M+HCOO]- 457.21060 199.5
[M+CH3COO]- 471.22625 195.5
[M+Na-2H]- 433.18707 184.3
[M]+ 412.21185 186.7
[M]- 412.21295 186.7
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.