CID 984627

Oprea1_215154

Structural Information

Molecular Formula
C24H24N2O2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C24H24N2O2/c1-15-5-11-21(17(3)13-15)25-23(27)19-7-9-20(10-8-19)24(28)26-22-12-6-16(2)14-18(22)4/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKey
AVNNVMXJUQVGKL-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.191056 192.7
[M+Na]+ 395.172998 198.9
[M-H]- 371.176504 202.8
[M+NH4]+ 390.217603 204.2
[M+K]+ 411.146938 193.7
[M+H-H2O]+ 355.181040 182.8
[M+HCOO]- 417.181981 215.6
[M+CH3COO]- 431.197631 226.9
[M+Na-2H]- 393.158446 192.7
[M]+ 372.18323142 193.2
[M]- 372.18432858 193.2
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

No patent data available for this compound.