CID 9574547

178870-01-4

Structural Information

Molecular Formula
C18H23ClN2O3
SMILES
CC1=C(CCCO1)C(=O)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C
InChI
InChI=1S/C18H23ClN2O3/c1-12-15(6-5-9-23-12)17(22)21-14-7-8-16(19)13(10-14)11-20-24-18(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,22)/b20-11+
InChIKey
XCGVBKOEIJNWFZ-RGVLZGJSSA-N
Compound name
N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1397 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14698 185.2
[M+Na]+ 373.12892 191.2
[M-H]- 349.13242 193.5
[M+NH4]+ 368.17352 198.2
[M+K]+ 389.10286 188.4
[M+H-H2O]+ 333.13696 177.7
[M+HCOO]- 395.13790 201.9
[M+CH3COO]- 409.15355 218.3
[M+Na-2H]- 371.11437 188.2
[M]+ 350.13915 189.0
[M]- 350.14025 189.0
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.