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]+ 406.19368 196.3
[M+Na]+ 428.17562 198.8
[M-H]- 404.17912 199.6
[M+NH4]+ 423.22022 205.5
[M+K]+ 444.14956 196.3
[M+H-H2O]+ 388.18366 185.5
[M+HCOO]- 450.18460 214.6
[M+CH3COO]- 464.20025 232.4
[M+Na-2H]- 426.16107 195.6
[M]+ 405.18585 193.8
[M]- 405.18695 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.