CID 117114

71329-04-9

Structural Information

Molecular Formula
C24H26N2O4
SMILES
CC1=CC=C(C=C1)NC2=C(CC(=C(C2)C(=O)OC)NC3=CC=C(C=C3)C)C(=O)OC
InChI
InChI=1S/C24H26N2O4/c1-15-5-9-17(10-6-15)25-21-13-20(24(28)30-4)22(14-19(21)23(27)29-3)26-18-11-7-16(2)8-12-18/h5-12,25-26H,13-14H2,1-4H3
InChIKey
ALPXOPKPVWQJMZ-UHFFFAOYSA-N
Compound name
dimethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 213.1
[M+NH4]+ 424.22309 206.4
[M+K]+ 445.15243 206.1
[M-H]- 405.18199 206.8
[M+Na-2H]- 427.16394 208.3
[M]+ 406.18872 204.0
[M]- 406.18982 204.0
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