CID 9574538

178870-29-6

Structural Information

Molecular Formula
C17H21ClN2O2S
SMILES
CC1=C(CCO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C
InChI
InChI=1S/C17H21ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H,20,23)/b19-10+
InChIKey
ZIEJVIPMMHLLHC-VXLYETTFSA-N
Compound name
N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-5-methyl-2,3-dihydrofuran-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.10123 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10851 186.9
[M+Na]+ 375.09045 194.2
[M-H]- 351.09395 195.9
[M+NH4]+ 370.13505 202.5
[M+K]+ 391.06439 190.0
[M+H-H2O]+ 335.09849 180.7
[M+HCOO]- 397.09943 200.7
[M+CH3COO]- 411.11508 216.1
[M+Na-2H]- 373.07590 186.5
[M]+ 352.10068 193.0
[M]- 352.10178 193.0
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.