CID 45054865

4-ethoxy-n-(2-oxo-2-(2-(2-(trifluoromethyl)benzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H18F3N3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C19H18F3N3O3/c1-2-28-15-9-7-13(8-10-15)18(27)23-12-17(26)25-24-11-14-5-3-4-6-16(14)19(20,21)22/h3-11H,2,12H2,1H3,(H,23,27)(H,25,26)/b24-11+
InChIKey
QVMIWSAIAFPZNU-BHGWPJFGSA-N
Compound name
4-ethoxy-N-[2-oxo-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13004 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13732 189.6
[M+Na]+ 416.11926 194.4
[M-H]- 392.12276 193.1
[M+NH4]+ 411.16386 200.1
[M+K]+ 432.09320 190.6
[M+H-H2O]+ 376.12730 177.5
[M+HCOO]- 438.12824 211.1
[M+CH3COO]- 452.14389 228.2
[M+Na-2H]- 414.10471 192.0
[M]+ 393.12949 187.5
[M]- 393.13059 187.5
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.