CID 13670221

Benzoic acid, 2-fluoro-, 1-(3-ethoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14525 165.5
[M+Na]+ 305.12719 170.3
[M-H]- 281.13069 170.1
[M+NH4]+ 300.17179 181.8
[M+K]+ 321.10113 170.9
[M+H-H2O]+ 265.13523 156.7
[M+HCOO]- 327.13617 189.4
[M+CH3COO]- 341.15182 211.8
[M+Na-2H]- 303.11264 166.3
[M]+ 282.13742 168.9
[M]- 282.13852 168.9
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.