CID 5744102

92374-59-9

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCOC(=O)C1=CC=CC=C1NC(C)C(=O)N(C)C
InChI
InChI=1S/C14H20N2O3/c1-5-19-14(18)11-8-6-7-9-12(11)15-10(2)13(17)16(3)4/h6-10,15H,5H2,1-4H3
InChIKey
VXKUPQLRDOQMQP-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.0
[M+Na]+ 287.13662 167.3
[M-H]- 263.14012 167.6
[M+NH4]+ 282.18122 179.4
[M+K]+ 303.11056 167.6
[M+H-H2O]+ 247.14466 155.5
[M+HCOO]- 309.14560 186.5
[M+CH3COO]- 323.16125 206.6
[M+Na-2H]- 285.12207 163.9
[M]+ 264.14685 165.6
[M]- 264.14795 165.6
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

No patent data available for this compound.