CID 11820920

1-[3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]-n-(2,2,2-trifluoroethoxy)methanimine

Structural Information

Molecular Formula
C18H21F3N2O3
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)/C=N/OCC(F)(F)F
InChI
InChI=1S/C18H21F3N2O3/c1-12-7-15(10-22-25-11-18(19,20)21)8-13(2)17(12)24-6-4-5-16-9-14(3)23-26-16/h7-10H,4-6,11H2,1-3H3/b22-10+
InChIKey
WCBFVBSJAJAOSG-LSHDLFTRSA-N
Compound name
(E)-1-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N-(2,2,2-trifluoroethoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15770 186.2
[M+Na]+ 393.13964 195.0
[M-H]- 369.14314 190.0
[M+NH4]+ 388.18424 198.6
[M+K]+ 409.11358 192.1
[M+H-H2O]+ 353.14768 175.3
[M+HCOO]- 415.14862 206.2
[M+CH3COO]- 429.16427 221.1
[M+Na-2H]- 391.12509 187.6
[M]+ 370.14987 190.8
[M]- 370.15097 190.8
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.