CID 984601

321531-59-3

Structural Information

Molecular Formula
C24H24N2O6
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C24H24N2O6/c1-29-17-8-10-21(31-3)19(13-17)25-23(27)15-6-5-7-16(12-15)24(28)26-20-14-18(30-2)9-11-22(20)32-4/h5-14H,1-4H3,(H,25,27)(H,26,28)
InChIKey
YVPWRKZEWVLEHJ-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17070 203.8
[M+Na]+ 459.15264 208.9
[M-H]- 435.15614 213.7
[M+NH4]+ 454.19724 212.1
[M+K]+ 475.12658 206.9
[M+H-H2O]+ 419.16068 192.6
[M+HCOO]- 481.16162 227.3
[M+CH3COO]- 495.17727 235.7
[M+Na-2H]- 457.13809 204.4
[M]+ 436.16287 209.7
[M]- 436.16397 209.7
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.