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]+ 401.22238 201.4
[M+Na]+ 423.20432 205.0
[M-H]- 399.20782 213.0
[M+NH4]+ 418.24892 212.2
[M+K]+ 439.17826 202.0
[M+H-H2O]+ 383.21236 190.3
[M+HCOO]- 445.21330 224.6
[M+CH3COO]- 459.22895 236.6
[M+Na-2H]- 421.18977 200.3
[M]+ 400.21455 204.1
[M]- 400.21565 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.