CID 78608

Diethyl 2,5-dianilino-3,6-dihydroterephthalate

Structural Information

Molecular Formula
C24H26N2O4
SMILES
CCOC(=O)C1=C(CC(=C(C1)NC2=CC=CC=C2)C(=O)OCC)NC3=CC=CC=C3
InChI
InChI=1S/C24H26N2O4/c1-3-29-23(27)19-15-22(26-18-13-9-6-10-14-18)20(24(28)30-4-2)16-21(19)25-17-11-7-5-8-12-17/h5-14,25-26H,3-4,15-16H2,1-2H3
InChIKey
ZJXBEXRSXKGGHS-UHFFFAOYSA-N
Compound name
diethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

406.18927 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 200.5
[M+Na]+ 429.17849 212.4
[M+NH4]+ 424.22309 206.4
[M+K]+ 445.15243 204.9
[M-H]- 405.18199 206.7
[M+Na-2H]- 427.16394 208.8
[M]+ 406.18872 203.8
[M]- 406.18982 203.8
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