CID 84335

1,4-benzenedicarboxylic acid, 2,5-bis(phenylamino)-, diethyl ester

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CCOC(=O)C1=CC(=C(C=C1NC2=CC=CC=C2)C(=O)OCC)NC3=CC=CC=C3
InChI
InChI=1S/C24H24N2O4/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/h5-16,25-26H,3-4H2,1-2H3
InChIKey
FVXKBIAYJSJUBJ-UHFFFAOYSA-N
Compound name
diethyl 2,5-dianilinobenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

404.1736 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 198.1
[M+Na]+ 427.16282 202.0
[M-H]- 403.16632 207.3
[M+NH4]+ 422.20742 207.4
[M+K]+ 443.13676 198.1
[M+H-H2O]+ 387.17086 187.2
[M+HCOO]- 449.17180 221.4
[M+CH3COO]- 463.18745 228.6
[M+Na-2H]- 425.14827 199.8
[M]+ 404.17305 200.4
[M]- 404.17415 200.4
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