CID 5746429

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

Structural Information

Molecular Formula
C20H26F3N3OS2
SMILES
CCC1=CN=C(S1)/C(=N\OC(C)CN(CC)CC)/C2=CC(=CC=C2)SC(F)(F)F
InChI
InChI=1S/C20H26F3N3OS2/c1-5-16-12-24-19(28-16)18(25-27-14(4)13-26(6-2)7-3)15-9-8-10-17(11-15)29-20(21,22)23/h8-12,14H,5-7,13H2,1-4H3/b25-18-
InChIKey
JXMPEYSLLQIAGB-BWAHOGKJSA-N
Compound name
N,N-diethyl-2-[(Z)-[(5-ethyl-1,3-thiazol-2-yl)-[3-(trifluoromethylsulfanyl)phenyl]methylidene]amino]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14694 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15422 201.7
[M+Na]+ 468.13616 206.6
[M-H]- 444.13966 204.7
[M+NH4]+ 463.18076 212.8
[M+K]+ 484.11010 201.5
[M+H-H2O]+ 428.14420 190.1
[M+HCOO]- 490.14514 210.3
[M+CH3COO]- 504.16079 237.3
[M+Na-2H]- 466.12161 197.1
[M]+ 445.14639 205.5
[M]- 445.14749 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.