CID 18369947

211933-17-4

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCCCCC(=O)OCC1(NC2=CC=CC3=C2C(=CC=C3)N1)COC(=O)CCCCC
InChI
InChI=1S/C25H34N2O4/c1-3-5-7-15-22(28)30-17-25(18-31-23(29)16-8-6-4-2)26-20-13-9-11-19-12-10-14-21(27-25)24(19)20/h9-14,26-27H,3-8,15-18H2,1-2H3
InChIKey
QSFJUUMRGANWPK-UHFFFAOYSA-N
Compound name
[2-(hexanoyloxymethyl)-1,3-dihydroperimidin-2-yl]methyl hexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

426.25186 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 208.4
[M+Na]+ 449.24108 217.9
[M+NH4]+ 444.28568 214.3
[M+K]+ 465.21502 208.6
[M-H]- 425.24458 207.1
[M+Na-2H]- 447.22653 209.8
[M]+ 426.25131 209.2
[M]- 426.25241 209.2
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