CID 459123

4-[2-(6-aminohexylamino)-4-pyrimidyl]-morpholine

Structural Information

Molecular Formula
C14H25N5O
SMILES
C1COCCN1C2=NC(=NC=C2)NCCCCCCN
InChI
InChI=1S/C14H25N5O/c15-6-3-1-2-4-7-16-14-17-8-5-13(18-14)19-9-11-20-12-10-19/h5,8H,1-4,6-7,9-12,15H2,(H,16,17,18)
InChIKey
BZSLIHPPOJSOMO-UHFFFAOYSA-N
Compound name
N'-(4-morpholin-4-ylpyrimidin-2-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.2059 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21318 168.7
[M+Na]+ 302.19512 171.5
[M-H]- 278.19862 169.7
[M+NH4]+ 297.23972 177.8
[M+K]+ 318.16906 168.5
[M+H-H2O]+ 262.20316 157.5
[M+HCOO]- 324.20410 185.4
[M+CH3COO]- 338.21975 203.7
[M+Na-2H]- 300.18057 173.7
[M]+ 279.20535 165.0
[M]- 279.20645 165.0
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.