CID 306642

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

Structural Information

Molecular Formula
C20H14N4O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H14N4O6/c25-19(21-15-3-1-5-17(11-15)23(27)28)13-7-9-14(10-8-13)20(26)22-16-4-2-6-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKey
ZYQYDMAEGZCUPD-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(3-nitrophenyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.09134 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09862 193.2
[M+Na]+ 429.08056 206.0
[M+NH4]+ 424.12516 198.2
[M+K]+ 445.05450 205.1
[M-H]- 405.08406 201.2
[M+Na-2H]- 427.06601 201.3
[M]+ 406.09079 196.8
[M]- 406.09189 196.8
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

patents stripe