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 186.1
[M+Na]+ 360.17007 191.0
[M-H]- 336.17357 194.0
[M+NH4]+ 355.21467 201.5
[M+K]+ 376.14401 188.2
[M+H-H2O]+ 320.17811 179.4
[M+HCOO]- 382.17905 201.3
[M+CH3COO]- 396.19470 218.0
[M+Na-2H]- 358.15552 182.4
[M]+ 337.18030 190.3
[M]- 337.18140 190.3
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.