CID 3056023

Brn 0942806

Structural Information

Molecular Formula
C22H26N6
SMILES
CC1=NC2=CC=CC=C2N1CN3CCN(CC3)CN4C(=NC5=CC=CC=C54)C
InChI
InChI=1S/C22H26N6/c1-17-23-19-7-3-5-9-21(19)27(17)15-25-11-13-26(14-12-25)16-28-18(2)24-20-8-4-6-10-22(20)28/h3-10H,11-16H2,1-2H3
InChIKey
JVPABELJYZYFHY-UHFFFAOYSA-N
Compound name
2-methyl-1-[[4-[(2-methylbenzimidazol-1-yl)methyl]piperazin-1-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2219 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22918 194.8
[M+Na]+ 397.21112 204.9
[M-H]- 373.21462 199.3
[M+NH4]+ 392.25572 204.1
[M+K]+ 413.18506 196.3
[M+H-H2O]+ 357.21916 181.8
[M+HCOO]- 419.22010 208.8
[M+CH3COO]- 433.23575 203.2
[M+Na-2H]- 395.19657 194.3
[M]+ 374.22135 196.3
[M]- 374.22245 196.3
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.