CID 496894

Nsc703220

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCCCC1C(COC(=O)N1C(C)C2=CC=CC=C2)OCOC3=CC=CC=C3
InChI
InChI=1S/C23H29NO4/c1-3-4-15-21-22(28-17-27-20-13-9-6-10-14-20)16-26-23(25)24(21)18(2)19-11-7-5-8-12-19/h5-14,18,21-22H,3-4,15-17H2,1-2H3
InChIKey
XITOSKZITWWJNN-UHFFFAOYSA-N
Compound name
4-butyl-5-(phenoxymethoxy)-3-(1-phenylethyl)-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 195.3
[M+Na]+ 406.19888 198.5
[M-H]- 382.20238 202.7
[M+NH4]+ 401.24348 203.4
[M+K]+ 422.17282 195.8
[M+H-H2O]+ 366.20692 184.1
[M+HCOO]- 428.20786 211.2
[M+CH3COO]- 442.22351 220.3
[M+Na-2H]- 404.18433 195.3
[M]+ 383.20911 196.9
[M]- 383.21021 196.9
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.