CID 511009

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

Structural Information

Molecular Formula
C22H30N6O
SMILES
CCOC(C1=CC=CC=N1)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CCN
InChI
InChI=1S/C22H30N6O/c1-2-29-21(19-8-5-6-13-24-19)28-20-9-4-3-7-18(20)26-22(28)25-17-10-14-27(15-11-17)16-12-23/h3-9,13,17,21H,2,10-12,14-16,23H2,1H3,(H,25,26)
InChIKey
HFDTVCOJXKQSCQ-UHFFFAOYSA-N
Compound name
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[ethoxy(pyridin-2-yl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2481 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25538 193.9
[M+Na]+ 417.23732 197.9
[M-H]- 393.24082 198.0
[M+NH4]+ 412.28192 200.9
[M+K]+ 433.21126 191.3
[M+H-H2O]+ 377.24536 181.1
[M+HCOO]- 439.24630 209.7
[M+CH3COO]- 453.26195 200.7
[M+Na-2H]- 415.22277 195.9
[M]+ 394.24755 191.5
[M]- 394.24865 191.5
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.