CID 4323455

22264-20-6

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CC1=CC=C(C=C1)NN(C2=CC=C(C=C2)C)C(=O)CCC(=O)OC
InChI
InChI=1S/C19H22N2O3/c1-14-4-8-16(9-5-14)20-21(17-10-6-15(2)7-11-17)18(22)12-13-19(23)24-3/h4-11,20H,12-13H2,1-3H3
InChIKey
QVIUKPSKWINFME-UHFFFAOYSA-N
Compound name
methyl 4-(4-methyl-N-(4-methylanilino)anilino)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.9
[M+Na]+ 349.15228 190.1
[M+NH4]+ 344.19688 185.4
[M+K]+ 365.12622 183.9
[M-H]- 325.15578 183.3
[M+Na-2H]- 347.13773 186.2
[M]+ 326.16251 181.5
[M]- 326.16361 181.5
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.