CID 248375

6957-84-2

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C
InChI
InChI=1S/C22H20N2O2/c1-15-7-3-5-9-19(15)23-21(25)17-11-13-18(14-12-17)22(26)24-20-10-6-4-8-16(20)2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKey
NQDLWWKEAPRXNA-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

344.15247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15975 183.4
[M+Na]+ 367.14169 188.7
[M-H]- 343.14519 193.0
[M+NH4]+ 362.18629 195.4
[M+K]+ 383.11563 183.6
[M+H-H2O]+ 327.14973 173.5
[M+HCOO]- 389.15067 207.1
[M+CH3COO]- 403.16632 218.4
[M+Na-2H]- 365.12714 186.0
[M]+ 344.15192 182.4
[M]- 344.15302 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe