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

literature stripe

Patent stripe

patents stripe