CID 13273019

87844-84-6

Structural Information

Molecular Formula
C19H29NO5
SMILES
CC(C)N1CC(OC1=O)COC2=CC=C(C=C2)COCCOC(C)C
InChI
InChI=1S/C19H29NO5/c1-14(2)20-11-18(25-19(20)21)13-24-17-7-5-16(6-8-17)12-22-9-10-23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3
InChIKey
MRVDGKFQFYHDHX-UHFFFAOYSA-N
Compound name
3-propan-2-yl-5-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.20456 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 185.6
[M+Na]+ 374.19378 189.9
[M-H]- 350.19728 190.8
[M+NH4]+ 369.23838 197.6
[M+K]+ 390.16772 189.6
[M+H-H2O]+ 334.20182 177.3
[M+HCOO]- 396.20276 203.2
[M+CH3COO]- 410.21841 214.8
[M+Na-2H]- 372.17923 183.2
[M]+ 351.20401 191.9
[M]- 351.20511 191.9
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