CID 3020122

84787-86-0

Structural Information

Molecular Formula
C18H27NO4
SMILES
CC(C)COC(=O)C1=C(C=C(C=C1)N(C)C)C(=O)OCC(C)C
InChI
InChI=1S/C18H27NO4/c1-12(2)10-22-17(20)15-8-7-14(19(5)6)9-16(15)18(21)23-11-13(3)4/h7-9,12-13H,10-11H2,1-6H3
InChIKey
FKRSLRWHBAPVMF-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 4-(dimethylamino)benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 178.3
[M+Na]+ 344.18322 182.5
[M-H]- 320.18672 182.7
[M+NH4]+ 339.22782 193.0
[M+K]+ 360.15716 183.0
[M+H-H2O]+ 304.19126 170.9
[M+HCOO]- 366.19220 198.7
[M+CH3COO]- 380.20785 217.7
[M+Na-2H]- 342.16867 175.2
[M]+ 321.19345 184.5
[M]- 321.19455 184.5
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.