CID 3343511

N(1),n(2)-bis(1,3-dimethylbutyl)phthalamide

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CC(C)CC(C)NC(=O)C1=CC=CC=C1C(=O)NC(C)CC(C)C
InChI
InChI=1S/C20H32N2O2/c1-13(2)11-15(5)21-19(23)17-9-7-8-10-18(17)20(24)22-16(6)12-14(3)4/h7-10,13-16H,11-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKey
CZQFDOWOGQWTSG-UHFFFAOYSA-N
Compound name
1-N,2-N-bis(4-methylpentan-2-yl)benzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.253646 188.0
[M+Na]+ 355.235588 189.0
[M-H]- 331.239094 190.2
[M+NH4]+ 350.280193 200.9
[M+K]+ 371.209528 187.6
[M+H-H2O]+ 315.243630 180.2
[M+HCOO]- 377.244571 205.7
[M+CH3COO]- 391.260221 221.8
[M+Na-2H]- 353.221036 182.8
[M]+ 332.24582142 188.3
[M]- 332.24691858 188.3
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.