CID 3080433

Brn 4335619

Structural Information

Molecular Formula
C21H25F2N3O3
SMILES
CCN(CC)C(C)C(=O)NNC(=O)C(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C21H25F2N3O3/c1-4-26(5-2)14(3)19(27)24-25-20(28)21(29,15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-14,29H,4-5H2,1-3H3,(H,24,27)(H,25,28)
InChIKey
RUTAEVOJVUQLTQ-UHFFFAOYSA-N
Compound name
N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.193676 196.3
[M+Na]+ 428.175618 198.8
[M-H]- 404.179124 199.6
[M+NH4]+ 423.220223 205.5
[M+K]+ 444.149558 196.3
[M+H-H2O]+ 388.183660 185.5
[M+HCOO]- 450.184601 214.6
[M+CH3COO]- 464.200251 232.4
[M+Na-2H]- 426.161066 195.6
[M]+ 405.18585142 193.8
[M]- 405.18694858 193.8
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.