CID 3077849

135726-59-9

Structural Information

Molecular Formula
C18H25NO5
SMILES
CC1=CC=C(C=C1)CNC(=O)C(CCOC(=O)C)C2(OCCO2)C
InChI
InChI=1S/C18H25NO5/c1-13-4-6-15(7-5-13)12-19-17(21)16(8-9-22-14(2)20)18(3)23-10-11-24-18/h4-7,16H,8-12H2,1-3H3,(H,19,21)
InChIKey
OENIEGIWPJQZRU-UHFFFAOYSA-N
Compound name
[3-(2-methyl-1,3-dioxolan-2-yl)-4-[(4-methylphenyl)methylamino]-4-oxobutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18056 181.9
[M+Na]+ 358.16250 185.3
[M-H]- 334.16600 189.0
[M+NH4]+ 353.20710 195.8
[M+K]+ 374.13644 186.3
[M+H-H2O]+ 318.17054 175.3
[M+HCOO]- 380.17148 200.4
[M+CH3COO]- 394.18713 210.6
[M+Na-2H]- 356.14795 182.8
[M]+ 335.17273 185.3
[M]- 335.17383 185.3
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.