CID 511011

Schembl6408491

Structural Information

Molecular Formula
C20H26N6O
SMILES
C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=C(C=CC=N4)O)CCN
InChI
InChI=1S/C20H26N6O/c21-9-13-25-11-7-15(8-12-25)23-20-24-16-4-1-2-5-18(16)26(20)14-17-19(27)6-3-10-22-17/h1-6,10,15,27H,7-9,11-14,21H2,(H,23,24)
InChIKey
XCJWTKZXFFFANG-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

366.2168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22408 186.4
[M+Na]+ 389.20602 192.3
[M-H]- 365.20952 190.0
[M+NH4]+ 384.25062 194.3
[M+K]+ 405.17996 184.7
[M+H-H2O]+ 349.21406 174.5
[M+HCOO]- 411.21500 202.5
[M+CH3COO]- 425.23065 194.0
[M+Na-2H]- 387.19147 189.3
[M]+ 366.21625 182.8
[M]- 366.21735 182.8
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