CID 9574541

178870-45-6

Structural Information

Molecular Formula
C20H17ClN2O2S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C20H17ClN2O2S/c1-14-18(9-10-24-14)20(26)23-17-7-8-19(21)16(11-17)12-22-25-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,26)/b22-12+
InChIKey
HVZVBIOFVWTMMC-WSDLNYQXSA-N
Compound name
N-[4-chloro-3-[(E)-phenylmethoxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.06992 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07720 193.4
[M+Na]+ 407.05914 201.7
[M-H]- 383.06264 205.6
[M+NH4]+ 402.10374 207.1
[M+K]+ 423.03308 195.8
[M+H-H2O]+ 367.06718 185.5
[M+HCOO]- 429.06812 210.8
[M+CH3COO]- 443.08377 220.7
[M+Na-2H]- 405.04459 193.7
[M]+ 384.06937 200.2
[M]- 384.07047 200.2
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.