CID 9574546

Chembl317014

Structural Information

Molecular Formula
C17H19ClN2O2S
SMILES
CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C
InChI
InChI=1S/C17H19ClN2O2S/c1-11-7-8-23-15(11)16(21)20-13-5-6-14(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,21)/b19-10+
InChIKey
OWEDBLYZOCTDBM-VXLYETTFSA-N
Compound name
N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.08557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09285 184.6
[M+Na]+ 373.07479 192.8
[M-H]- 349.07829 193.4
[M+NH4]+ 368.11939 201.6
[M+K]+ 389.04873 187.5
[M+H-H2O]+ 333.08283 178.2
[M+HCOO]- 395.08377 200.7
[M+CH3COO]- 409.09942 215.6
[M+Na-2H]- 371.06024 184.5
[M]+ 350.08502 191.6
[M]- 350.08612 191.6
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.