CID 25229652

1146963-51-0

Structural Information

Molecular Formula
C18H17F3N2O2
SMILES
CC1=CC(=C(C=C1)N(C(=O)C(F)(F)F)/N=C/C2=CC(=CC=C2)OC)C
InChI
InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+
InChIKey
HYMZAYGFKNNHDN-SSDVNMTOSA-N
Compound name
N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

15
Patents

350.1242 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13148 179.8
[M+Na]+ 373.11342 187.3
[M-H]- 349.11692 185.5
[M+NH4]+ 368.15802 193.7
[M+K]+ 389.08736 184.4
[M+H-H2O]+ 333.12146 168.5
[M+HCOO]- 395.12240 201.8
[M+CH3COO]- 409.13805 223.0
[M+Na-2H]- 371.09887 181.8
[M]+ 350.12365 179.8
[M]- 350.12475 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe