CID 5276804

Schembl13329975

Structural Information

Molecular Formula
C16H30N4O2
SMILES
CCCCCCC1=C(N=C(N=C1NCCOCCO)NC)C
InChI
InChI=1S/C16H30N4O2/c1-4-5-6-7-8-14-13(2)19-16(17-3)20-15(14)18-9-11-22-12-10-21/h21H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKey
FMVCYEBYPYSXPB-UHFFFAOYSA-N
Compound name
2-[2-[[5-hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.23688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24416 178.1
[M+Na]+ 333.22610 183.0
[M-H]- 309.22960 177.0
[M+NH4]+ 328.27070 189.6
[M+K]+ 349.20004 179.2
[M+H-H2O]+ 293.23414 168.9
[M+HCOO]- 355.23508 198.7
[M+CH3COO]- 369.25073 212.8
[M+Na-2H]- 331.21155 180.9
[M]+ 310.23633 182.2
[M]- 310.23743 182.2
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

patents stripe