CID 56560

93142-90-6

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCCCNC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C16H24N2O3/c1-4-6-11-17-12(3)15(19)18-14-9-7-13(8-10-14)16(20)21-5-2/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)
InChIKey
FRPALAJMOMSFOK-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(butylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

292.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 172.4
[M+Na]+ 315.16790 175.6
[M-H]- 291.17140 175.1
[M+NH4]+ 310.21250 187.0
[M+K]+ 331.14184 174.0
[M+H-H2O]+ 275.17594 164.5
[M+HCOO]- 337.17688 194.7
[M+CH3COO]- 351.19253 209.2
[M+Na-2H]- 313.15335 172.9
[M]+ 292.17813 174.4
[M]- 292.17923 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