CID 511007

Schembl4987366

Structural Information

Molecular Formula
C20H26N6
SMILES
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=CC=N4)CCN
InChI
InChI=1S/C20H26N6/c21-10-14-25-12-8-16(9-13-25)23-20-24-18-6-1-2-7-19(18)26(20)15-17-5-3-4-11-22-17/h1-7,11,16H,8-10,12-15,21H2,(H,23,24)
InChIKey
YCXJCAFRWLIFKD-UHFFFAOYSA-N
Compound name
N-[1-(2-aminoethyl)piperidin-4-yl]-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

350.2219 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22918 182.7
[M+Na]+ 373.21112 188.3
[M-H]- 349.21462 187.0
[M+NH4]+ 368.25572 191.7
[M+K]+ 389.18506 180.7
[M+H-H2O]+ 333.21916 170.2
[M+HCOO]- 395.22010 200.1
[M+CH3COO]- 409.23575 190.7
[M+Na-2H]- 371.19657 186.6
[M]+ 350.22135 178.9
[M]- 350.22245 178.9
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.