CID 45479353

2,4-diamino-6-ethyl-5,3'-(2-cyclohexylphenoxy)prop-1'-yloxypyrimidine

Structural Information

Molecular Formula
C23H32N4O3
SMILES
CCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2C3CCC(CC3)C(=O)C
InChI
InChI=1S/C23H32N4O3/c1-3-19-21(22(24)27-23(25)26-19)30-14-6-13-29-20-8-5-4-7-18(20)17-11-9-16(10-12-17)15(2)28/h4-5,7-8,16-17H,3,6,9-14H2,1-2H3,(H4,24,25,26,27)
InChIKey
GKVIGLISMFSOPU-UHFFFAOYSA-N
Compound name
1-[4-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]cyclohexyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.24744 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25472 204.1
[M+Na]+ 435.23666 214.8
[M+NH4]+ 430.28126 209.0
[M+K]+ 451.21060 208.2
[M-H]- 411.24016 209.0
[M+Na-2H]- 433.22211 209.4
[M]+ 412.24689 206.7
[M]- 412.24799 206.7
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.