CID 3000893

178870-02-5

Structural Information

Molecular Formula
C18H23ClN2O2S
SMILES
CC1=C(CCCO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C
InChI
InChI=1S/C18H23ClN2O2S/c1-12-15(6-5-9-22-12)17(24)21-14-7-8-16(19)13(10-14)11-20-23-18(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,24)
InChIKey
NQEWIHSQMLOVRV-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-[(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.11688 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12416 188.4
[M+Na]+ 389.10610 194.2
[M-H]- 365.10960 196.6
[M+NH4]+ 384.15070 201.4
[M+K]+ 405.08004 189.9
[M+H-H2O]+ 349.11414 181.2
[M+HCOO]- 411.11508 199.8
[M+CH3COO]- 425.13073 219.6
[M+Na-2H]- 387.09155 189.1
[M]+ 366.11633 192.6
[M]- 366.11743 192.6
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.