CID 306645

N,n'-diethyl-n,n'-di(m-tolyl)isophthalamide

Structural Information

Molecular Formula
C26H28N2O2
SMILES
CCN(C1=CC=CC(=C1)C)C(=O)C2=CC(=CC=C2)C(=O)N(CC)C3=CC=CC(=C3)C
InChI
InChI=1S/C26H28N2O2/c1-5-27(23-14-7-10-19(3)16-23)25(29)21-12-9-13-22(18-21)26(30)28(6-2)24-15-8-11-20(4)17-24/h7-18H,5-6H2,1-4H3
InChIKey
GIJKPPMKAYLPIC-UHFFFAOYSA-N
Compound name
1-N,3-N-diethyl-1-N,3-N-bis(3-methylphenyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.222376 201.4
[M+Na]+ 423.204318 205.0
[M-H]- 399.207824 213.0
[M+NH4]+ 418.248923 212.2
[M+K]+ 439.178258 202.0
[M+H-H2O]+ 383.212360 190.3
[M+HCOO]- 445.213301 224.6
[M+CH3COO]- 459.228951 236.6
[M+Na-2H]- 421.189766 200.3
[M]+ 400.21455142 204.1
[M]- 400.21564858 204.1
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.