CID 5279695

2-[[2-[2-(1h-indol-2-yl)ethylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C24H23N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCC4=CC5=CC=CC=C5N4
InChI
InChI=1S/C24H23N5O/c1-16-10-11-23(30)21(26-16)15-29-22-9-5-4-8-20(22)28-24(29)25-13-12-18-14-17-6-2-3-7-19(17)27-18/h2-11,14,27,30H,12-13,15H2,1H3,(H,25,28)
InChIKey
LQYQPMIXLDXVLM-UHFFFAOYSA-N
Compound name
2-[[2-[2-(1H-indol-2-yl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.19025 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19753 194.3
[M+Na]+ 420.17947 204.5
[M-H]- 396.18297 200.1
[M+NH4]+ 415.22407 204.1
[M+K]+ 436.15341 195.1
[M+H-H2O]+ 380.18751 183.6
[M+HCOO]- 442.18845 213.1
[M+CH3COO]- 456.20410 203.4
[M+Na-2H]- 418.16492 197.5
[M]+ 397.18970 197.4
[M]- 397.19080 197.4
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.