CID 5279682

6-methyl-2-[[2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]pyridin-3-ol

Structural Information

Molecular Formula
C22H30N6O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCN4CCN(CC4)C
InChI
InChI=1S/C22H30N6O/c1-17-8-9-21(29)19(24-17)16-28-20-7-4-3-6-18(20)25-22(28)23-10-5-11-27-14-12-26(2)13-15-27/h3-4,6-9,29H,5,10-16H2,1-2H3,(H,23,25)
InChIKey
OVWRSNDHIOXYPJ-UHFFFAOYSA-N
Compound name
6-methyl-2-[[2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2481 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25538 199.8
[M+Na]+ 417.23732 206.4
[M-H]- 393.24082 202.4
[M+NH4]+ 412.28192 205.9
[M+K]+ 433.21126 198.3
[M+H-H2O]+ 377.24536 187.0
[M+HCOO]- 439.24630 213.1
[M+CH3COO]- 453.26195 206.5
[M+Na-2H]- 415.22277 200.5
[M]+ 394.24755 198.9
[M]- 394.24865 198.9
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.