CID 45054410

N-(2-oxo-2-(2-(2-(trifluoromethyl)benzylidene)hydrazino)et)-4-propoxybenzamide

Structural Information

Molecular Formula
C20H20F3N3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C20H20F3N3O3/c1-2-11-29-16-9-7-14(8-10-16)19(28)24-13-18(27)26-25-12-15-5-3-4-6-17(15)20(21,22)23/h3-10,12H,2,11,13H2,1H3,(H,24,28)(H,26,27)/b25-12+
InChIKey
USPGWVOMULYGDB-BRJLIKDPSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15298 194.1
[M+Na]+ 430.13492 198.5
[M-H]- 406.13842 197.4
[M+NH4]+ 425.17952 204.0
[M+K]+ 446.10886 194.4
[M+H-H2O]+ 390.14296 181.8
[M+HCOO]- 452.14390 215.3
[M+CH3COO]- 466.15955 231.2
[M+Na-2H]- 428.12037 196.0
[M]+ 407.14515 192.4
[M]- 407.14625 192.4
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.