CID 9554694

Uc30

Structural Information

Molecular Formula
C17H19ClN2OS2
SMILES
CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C
InChI
InChI=1S/C17H19ClN2OS2/c1-11-7-8-23-15(11)16(22)20-13-5-6-14(18)12(9-13)10-19-21-17(2,3)4/h5-10H,1-4H3,(H,20,22)/b19-10+
InChIKey
SQQWWYVPSWFCLQ-VXLYETTFSA-N
Compound name
N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-3-methylthiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

366.06274 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07002 187.1
[M+Na]+ 389.05196 195.4
[M-H]- 365.05546 195.4
[M+NH4]+ 384.09656 203.7
[M+K]+ 405.02590 188.2
[M+H-H2O]+ 349.06000 181.0
[M+HCOO]- 411.06094 197.3
[M+CH3COO]- 425.07659 217.6
[M+Na-2H]- 387.03741 185.4
[M]+ 366.06219 193.4
[M]- 366.06329 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.