CID 9571776

Nsc650061

Structural Information

Molecular Formula
C18H19ClN2O2S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC3CCCC3
InChI
InChI=1S/C18H19ClN2O2S/c1-12-16(8-9-22-12)18(24)21-14-6-7-17(19)13(10-14)11-20-23-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,21,24)/b20-11+
InChIKey
BQUDVOCALIHNLE-RGVLZGJSSA-N
Compound name
N-[4-chloro-3-[(E)-cyclopentyloxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.08557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09285 189.6
[M+Na]+ 385.07479 196.7
[M-H]- 361.07829 201.7
[M+NH4]+ 380.11939 206.1
[M+K]+ 401.04873 192.0
[M+H-H2O]+ 345.08283 183.2
[M+HCOO]- 407.08377 205.6
[M+CH3COO]- 421.09942 215.5
[M+Na-2H]- 383.06024 186.6
[M]+ 362.08502 194.0
[M]- 362.08612 194.0
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.