CID 40696

Brn 2757663

Structural Information

Molecular Formula
C20H33NO4
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(CNC(C)C)O)C(=O)OC(C)C
InChI
InChI=1S/C20H33NO4/c1-12(2)17-9-8-15(7)18(20(23)25-14(5)6)19(17)24-11-16(22)10-21-13(3)4/h8-9,12-14,16,21-22H,10-11H2,1-7H3
InChIKey
RUOFYGLAOTYOFP-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24097 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.24825 189.1
[M+Na]+ 374.23019 192.1
[M-H]- 350.23369 190.6
[M+NH4]+ 369.27479 201.4
[M+K]+ 390.20413 191.2
[M+H-H2O]+ 334.23823 182.0
[M+HCOO]- 396.23917 205.5
[M+CH3COO]- 410.25482 221.5
[M+Na-2H]- 372.21564 183.2
[M]+ 351.24042 193.4
[M]- 351.24152 193.4
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.