CID 3075268

Butanoic acid, 2-ethyl-2-((3-(trifluoromethyl)phenyl)amino)-, 2-phenylhydrazide

Structural Information

Molecular Formula
C19H22F3N3O
SMILES
CCC(CC)(C(=O)NNC1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C19H22F3N3O/c1-3-18(4-2,17(26)25-24-15-10-6-5-7-11-15)23-16-12-8-9-14(13-16)19(20,21)22/h5-13,23-24H,3-4H2,1-2H3,(H,25,26)
InChIKey
IVSXAAPEIYLJQF-UHFFFAOYSA-N
Compound name
2-ethyl-N'-phenyl-2-[3-(trifluoromethyl)anilino]butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1715 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17878 183.8
[M+Na]+ 388.16072 187.6
[M-H]- 364.16422 185.8
[M+NH4]+ 383.20532 194.9
[M+K]+ 404.13466 182.8
[M+H-H2O]+ 348.16876 172.7
[M+HCOO]- 410.16970 202.5
[M+CH3COO]- 424.18535 222.8
[M+Na-2H]- 386.14617 188.5
[M]+ 365.17095 178.4
[M]- 365.17205 178.4
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.