CID 511008

N-[1-(2-aminoethyl)-4-piperidyl]-1-[(6-methyl-2-pyridyl)methyl]benzimidazol-2-amine

Structural Information

Molecular Formula
C21H28N6
SMILES
CC1=NC(=CC=C1)CN2C3=CC=CC=C3N=C2NC4CCN(CC4)CCN
InChI
InChI=1S/C21H28N6/c1-16-5-4-6-18(23-16)15-27-20-8-3-2-7-19(20)25-21(27)24-17-9-12-26(13-10-17)14-11-22/h2-8,17H,9-15,22H2,1H3,(H,24,25)
InChIKey
XUSSPLSTDRYEJG-UHFFFAOYSA-N
Compound name
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methylpyridin-2-yl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.23755 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24483 188.9
[M+Na]+ 387.22677 194.9
[M-H]- 363.23027 193.4
[M+NH4]+ 382.27137 197.7
[M+K]+ 403.20071 187.2
[M+H-H2O]+ 347.23481 176.5
[M+HCOO]- 409.23575 205.9
[M+CH3COO]- 423.25140 196.7
[M+Na-2H]- 385.21222 191.3
[M]+ 364.23700 185.9
[M]- 364.23810 185.9
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.