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

literature stripe

Patent stripe

patents stripe