CID 56740

Gb-403

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N(CC(=O)N(C)C)C(=O)C
InChI
InChI=1S/C15H20N2O4/c1-5-21-15(20)12-6-8-13(9-7-12)17(11(2)18)10-14(19)16(3)4/h6-9H,5,10H2,1-4H3
InChIKey
VUHGEIOHKFQRJI-UHFFFAOYSA-N
Compound name
ethyl 4-[acetyl-[2-(dimethylamino)-2-oxoethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.149576 168.4
[M+Na]+ 315.131518 172.8
[M-H]- 291.135024 174.5
[M+NH4]+ 310.176123 184.3
[M+K]+ 331.105458 174.3
[M+H-H2O]+ 275.139560 160.6
[M+HCOO]- 337.140501 192.6
[M+CH3COO]- 351.156151 213.6
[M+Na-2H]- 313.116966 168.4
[M]+ 292.14175142 173.5
[M]- 292.14284858 173.5
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.