CID 13670198

Propanoic acid, 3,3'-(1,4-phenylenebis(iminocarbonyl(dimethylhydrazono)))bis-, dimethyl ester

Structural Information

Molecular Formula
C20H32N6O6
SMILES
CN(C)N(CCC(=O)OC)C(=O)NC1=CC=C(C=C1)NC(=O)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C20H32N6O6/c1-23(2)25(13-11-17(27)31-5)19(29)21-15-7-9-16(10-8-15)22-20(30)26(24(3)4)14-12-18(28)32-6/h7-10H,11-14H2,1-6H3,(H,21,29)(H,22,30)
InChIKey
VHFMANGUANWBJZ-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino-[[4-[[dimethylamino-(3-methoxy-3-oxopropyl)carbamoyl]amino]phenyl]carbamoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.23834 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24562 206.5
[M+Na]+ 475.22756 207.4
[M+NH4]+ 470.27216 247.9
[M+K]+ 491.20150 207.8
[M-H]- 451.23106 206.9
[M+Na-2H]- 473.21301 206.8
[M]+ 452.23779 205.5
[M]- 452.23889 205.5
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.