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]+ 355.212846 188.1
[M+Na]+ 377.194788 192.9
[M-H]- 353.198294 189.6
[M+NH4]+ 372.239393 196.4
[M+K]+ 393.168728 188.0
[M+H-H2O]+ 337.202830 171.8
[M+HCOO]- 399.203771 204.2
[M+CH3COO]- 413.219421 227.7
[M+Na-2H]- 375.180236 189.0
[M]+ 354.20502142 183.0
[M]- 354.20611858 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.