CID 13481184

103607-57-4

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CC(C)NCC(COC1=NC=CC(=C1C#N)NCCC2=CC=CC=C2)O
InChI
InChI=1S/C20H26N4O2/c1-15(2)24-13-17(25)14-26-20-18(12-21)19(9-11-23-20)22-10-8-16-6-4-3-5-7-16/h3-7,9,11,15,17,24-25H,8,10,13-14H2,1-2H3,(H,22,23)
InChIKey
LASNICHPNOUXAX-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-(2-phenylethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 188.1
[M+Na]+ 377.19479 192.9
[M-H]- 353.19829 189.6
[M+NH4]+ 372.23939 196.4
[M+K]+ 393.16873 188.0
[M+H-H2O]+ 337.20283 171.8
[M+HCOO]- 399.20377 204.2
[M+CH3COO]- 413.21942 227.7
[M+Na-2H]- 375.18024 189.0
[M]+ 354.20502 183.0
[M]- 354.20612 183.0
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.