CID 248372

N,n'-bis(3-methoxyphenyl)terephthalamide

Structural Information

Molecular Formula
C22H20N2O4
SMILES
COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C22H20N2O4/c1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKey
BTEAFZRBSOWUOB-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(3-methoxyphenyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

376.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 189.2
[M+Na]+ 399.13152 194.0
[M-H]- 375.13502 198.8
[M+NH4]+ 394.17612 199.6
[M+K]+ 415.10546 190.5
[M+H-H2O]+ 359.13956 178.7
[M+HCOO]- 421.14050 213.2
[M+CH3COO]- 435.15615 222.8
[M+Na-2H]- 397.11697 191.9
[M]+ 376.14175 190.9
[M]- 376.14285 190.9
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