CID 24835172

96804-40-9

Structural Information

Molecular Formula
C13H17FN2O3
SMILES
CN(C)N(CCC(=O)OC)C(=O)C1=CC=CC=C1F
InChI
InChI=1S/C13H17FN2O3/c1-15(2)16(9-8-12(17)19-3)13(18)10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChIKey
WUZZXPSGJPKJRH-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12958 160.7
[M+Na]+ 291.11152 166.0
[M-H]- 267.11502 165.5
[M+NH4]+ 286.15612 177.6
[M+K]+ 307.08546 166.9
[M+H-H2O]+ 251.11956 152.1
[M+HCOO]- 313.12050 185.0
[M+CH3COO]- 327.13615 208.8
[M+Na-2H]- 289.09697 162.1
[M]+ 268.12175 163.8
[M]- 268.12285 163.8
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.