CID 54596069

Ethyl 2-[(4-amino-2-fluorophenyl)formamido]propanoate hydrochloride

Structural Information

Molecular Formula
C12H15FN2O3
SMILES
CCOC(=O)C(C)NC(=O)C1=C(C=C(C=C1)N)F
InChI
InChI=1S/C12H15FN2O3/c1-3-18-12(17)7(2)15-11(16)9-5-4-8(14)6-10(9)13/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKey
YYGDMQYGQGPKKD-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-amino-2-fluorobenzoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11395 156.7
[M+Na]+ 277.09589 162.7
[M-H]- 253.09939 158.7
[M+NH4]+ 272.14049 172.9
[M+K]+ 293.06983 161.3
[M+H-H2O]+ 237.10393 148.9
[M+HCOO]- 299.10487 178.7
[M+CH3COO]- 313.12052 200.6
[M+Na-2H]- 275.08134 157.0
[M]+ 254.10612 155.6
[M]- 254.10722 155.6
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.