CID 496908

Nsc706105

Structural Information

Molecular Formula
C22H37N3O5
SMILES
CCCCCCCCCCCC1N(C2CC(OC2CO1)N3C=C(C(=O)NC3=O)C)O
InChI
InChI=1S/C22H37N3O5/c1-3-4-5-6-7-8-9-10-11-12-19-25(28)17-13-20(30-18(17)15-29-19)24-14-16(2)21(26)23-22(24)27/h14,17-20,28H,3-13,15H2,1-2H3,(H,23,26,27)
InChIKey
PHZDANJXNGRQTF-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-2-undecyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.27332 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.28060 208.7
[M+Na]+ 446.26254 213.5
[M-H]- 422.26604 209.7
[M+NH4]+ 441.30714 213.7
[M+K]+ 462.23648 209.5
[M+H-H2O]+ 406.27058 199.0
[M+HCOO]- 468.27152 217.1
[M+CH3COO]- 482.28717 225.3
[M+Na-2H]- 444.24799 204.6
[M]+ 423.27277 211.4
[M]- 423.27387 211.4
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.