CID 3079175

3-diisobutylaminomethyl-5-(p-chlorophenyl)-tetrahydrofuran-2-one

Structural Information

Molecular Formula
C19H28ClNO2
SMILES
CC(C)CN(CC1CC(OC1=O)C2=CC=C(C=C2)Cl)CC(C)C
InChI
InChI=1S/C19H28ClNO2/c1-13(2)10-21(11-14(3)4)12-16-9-18(23-19(16)22)15-5-7-17(20)8-6-15/h5-8,13-14,16,18H,9-12H2,1-4H3
InChIKey
VKGQUOGVQKLUQH-UHFFFAOYSA-N
Compound name
3-[[bis(2-methylpropyl)amino]methyl]-5-(4-chlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18813 182.6
[M+Na]+ 360.17007 193.3
[M+NH4]+ 355.21467 190.2
[M+K]+ 376.14401 188.5
[M-H]- 336.17357 187.5
[M+Na-2H]- 358.15552 186.4
[M]+ 337.18030 185.7
[M]- 337.18140 185.7
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.