CID 44482551

Sa72

Structural Information

Molecular Formula
C21H26N2O6
SMILES
COC1=CC2=C(C=C1)C(=CC=C2)C3COC(OC3)CCCNC(=O)OCC(=O)N
InChI
InChI=1S/C21H26N2O6/c1-26-16-7-8-18-14(10-16)4-2-5-17(18)15-11-27-20(28-12-15)6-3-9-23-21(25)29-13-19(22)24/h2,4-5,7-8,10,15,20H,3,6,9,11-13H2,1H3,(H2,22,24)(H,23,25)
InChIKey
OGKKHZMANPWMSD-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl) N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

22
Patents

402.17908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18636 197.1
[M+Na]+ 425.16830 206.1
[M+NH4]+ 420.21290 201.8
[M+K]+ 441.14224 201.6
[M-H]- 401.17180 202.7
[M+Na-2H]- 423.15375 199.2
[M]+ 402.17853 199.5
[M]- 402.17963 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe