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 176.1
[M+Na]+ 346.13735 178.3
[M-H]- 322.14085 181.7
[M+NH4]+ 341.18195 189.8
[M+K]+ 362.11129 181.1
[M+H-H2O]+ 306.14539 167.4
[M+HCOO]- 368.14633 200.4
[M+CH3COO]- 382.16198 220.0
[M+Na-2H]- 344.12280 176.0
[M]+ 323.14758 180.6
[M]- 323.14868 180.6
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