CID 13670219

96804-48-7

Structural Information

Molecular Formula
C14H19FN2O3
SMILES
CC(CN(C(=O)C1=CC=CC=C1F)N(C)C)C(=O)OC
InChI
InChI=1S/C14H19FN2O3/c1-10(14(19)20-4)9-17(16(2)3)13(18)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3
InChIKey
IOICUIBXYNLJHT-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.13797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14525 165.3
[M+Na]+ 305.12719 169.9
[M-H]- 281.13069 170.0
[M+NH4]+ 300.17179 181.6
[M+K]+ 321.10113 171.1
[M+H-H2O]+ 265.13523 156.7
[M+HCOO]- 327.13617 188.3
[M+CH3COO]- 341.15182 212.7
[M+Na-2H]- 303.11264 165.0
[M]+ 282.13742 168.2
[M]- 282.13852 168.2
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

patents stripe