CID 3024196

94276-20-7

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCN(CC)C1=C(C=CC(=C1)C(=O)OCC)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C19H23N3O3/c1-4-22(5-2)17-12-14(19(24)25-6-3)9-10-16(17)21-18(23)15-8-7-11-20-13-15/h7-13H,4-6H2,1-3H3,(H,21,23)
InChIKey
LZOVCLCAZKXGOZ-UHFFFAOYSA-N
Compound name
ethyl 3-(diethylamino)-4-(pyridine-3-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 182.8
[M+Na]+ 364.163168 187.2
[M-H]- 340.166674 189.1
[M+NH4]+ 359.207773 194.5
[M+K]+ 380.137108 185.1
[M+H-H2O]+ 324.171210 172.7
[M+HCOO]- 386.172151 205.7
[M+CH3COO]- 400.187801 220.2
[M+Na-2H]- 362.148616 184.7
[M]+ 341.17340142 186.2
[M]- 341.17449858 186.2
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.