CID 5279686

2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCC4COC(O4)(C)C
InChI
InChI=1S/C20H24N4O3/c1-13-8-9-18(25)16(22-13)11-24-17-7-5-4-6-15(17)23-19(24)21-10-14-12-26-20(2,3)27-14/h4-9,14,25H,10-12H2,1-3H3,(H,21,23)
InChIKey
LQJPBBSATYEKJK-UHFFFAOYSA-N
Compound name
2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 186.9
[M+Na]+ 391.17406 196.4
[M-H]- 367.17756 195.0
[M+NH4]+ 386.21866 198.4
[M+K]+ 407.14800 193.1
[M+H-H2O]+ 351.18210 177.9
[M+HCOO]- 413.18304 204.7
[M+CH3COO]- 427.19869 197.5
[M+Na-2H]- 389.15951 188.8
[M]+ 368.18429 191.3
[M]- 368.18539 191.3
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.