CID 511010

1h-benzimidazol-2-amine, n-[1-(2-aminoethyl)-4-piperidinyl]-1-[ethoxy(6-methyl-2-pyridinyl)methyl]-

Structural Information

Molecular Formula
C23H32N6O
SMILES
CCOC(C1=CC=CC(=N1)C)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CCN
InChI
InChI=1S/C23H32N6O/c1-3-30-22(20-9-6-7-17(2)25-20)29-21-10-5-4-8-19(21)27-23(29)26-18-11-14-28(15-12-18)16-13-24/h4-10,18,22H,3,11-16,24H2,1-2H3,(H,26,27)
InChIKey
YLTCPRNWQWULJU-UHFFFAOYSA-N
Compound name
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[ethoxy-(6-methylpyridin-2-yl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.26376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.27104 200.0
[M+Na]+ 431.25298 204.4
[M-H]- 407.25648 204.3
[M+NH4]+ 426.29758 206.7
[M+K]+ 447.22692 197.7
[M+H-H2O]+ 391.26102 187.3
[M+HCOO]- 453.26196 215.5
[M+CH3COO]- 467.27761 206.7
[M+Na-2H]- 429.23843 200.6
[M]+ 408.26321 198.4
[M]- 408.26431 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.