CID 468699

N-[3-(trifluoromethyl)phenyl]-n-(2-{[3-(trifluoromethyl)phenyl]imino}-2h-1,4-benzoxazin-3(4h)-ylidene)amine

Structural Information

Molecular Formula
C22H13F6N3O
SMILES
C1=CC=C2C(=C1)N=C(C(=NC3=CC=CC(=C3)C(F)(F)F)O2)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H13F6N3O/c23-21(24,25)13-5-3-7-15(11-13)29-19-20(32-18-10-2-1-9-17(18)31-19)30-16-8-4-6-14(12-16)22(26,27)28/h1-12H,(H,29,31)
InChIKey
BMXMFNQUFAOTEZ-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.09628 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.10356 205.3
[M+Na]+ 472.08550 215.3
[M-H]- 448.08900 209.0
[M+NH4]+ 467.13010 212.2
[M+K]+ 488.05944 208.0
[M+H-H2O]+ 432.09354 188.9
[M+HCOO]- 494.09448 219.3
[M+CH3COO]- 508.11013 235.6
[M+Na-2H]- 470.07095 211.1
[M]+ 449.09573 199.1
[M]- 449.09683 199.2
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

No patent data available for this compound.