CID 94049

58444-23-8

Structural Information

Molecular Formula
C20H26N4O3
SMILES
CC1=CC(=NC(=C1C#N)NCCCOCCOC2=CC=CC=C2)NCCO
InChI
InChI=1S/C20H26N4O3/c1-16-14-19(22-9-10-25)24-20(18(16)15-21)23-8-5-11-26-12-13-27-17-6-3-2-4-7-17/h2-4,6-7,14,25H,5,8-13H2,1H3,(H2,22,23,24)
InChIKey
JZFSKHDCPOQSBP-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethylamino)-4-methyl-2-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.207776 186.8
[M+Na]+ 393.189718 192.8
[M-H]- 369.193224 188.5
[M+NH4]+ 388.234323 194.9
[M+K]+ 409.163658 187.7
[M+H-H2O]+ 353.197760 170.3
[M+HCOO]- 415.198701 204.9
[M+CH3COO]- 429.214351 229.2
[M+Na-2H]- 391.175166 189.5
[M]+ 370.19995142 184.5
[M]- 370.20104858 184.5
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.