CID 9588322

(o-diethylaminopropyl-2) ((5-ethylthiazolyl-2)(m-trifluoromethoxyphenyl))cetoxime [french]

Structural Information

Molecular Formula
C20H26F3N3O2S
SMILES
CCC1=CN=C(S1)/C(=N\OC(C)CN(CC)CC)/C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C20H26F3N3O2S/c1-5-17-12-24-19(29-17)18(25-28-14(4)13-26(6-2)7-3)15-9-8-10-16(11-15)27-20(21,22)23/h8-12,14H,5-7,13H2,1-4H3/b25-18-
InChIKey
LZPOJXWVECJFCB-BWAHOGKJSA-N
Compound name
N,N-diethyl-2-[(Z)-[(5-ethyl-1,3-thiazol-2-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.16977 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17705 201.3
[M+Na]+ 452.15899 206.0
[M-H]- 428.16249 204.9
[M+NH4]+ 447.20359 212.7
[M+K]+ 468.13293 202.8
[M+H-H2O]+ 412.16703 189.3
[M+HCOO]- 474.16797 215.8
[M+CH3COO]- 488.18362 235.7
[M+Na-2H]- 450.14444 197.8
[M]+ 429.16922 205.5
[M]- 429.17032 205.5
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.