CID 13670224

96804-14-7

Structural Information

Molecular Formula
C15H21N3O5
SMILES
CN(C)N(C(CC(=O)OC)C(=O)OC)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C15H21N3O5/c1-17(2)18(12(14(20)23-4)10-13(19)22-3)15(21)16-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,21)
InChIKey
XPDNHFDLQUKYIT-UHFFFAOYSA-N
Compound name
dimethyl 2-[dimethylamino(phenylcarbamoyl)amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.14813 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15541 174.4
[M+Na]+ 346.13735 179.9
[M+NH4]+ 341.18195 178.1
[M+K]+ 362.11129 178.5
[M-H]- 322.14085 174.5
[M+Na-2H]- 344.12280 177.1
[M]+ 323.14758 174.4
[M]- 323.14868 174.4
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