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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.