CID 9554700

Uc-32

Structural Information

Molecular Formula
C15H21ClN2O2S
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)/C=N/OC(C)(C)C
InChI
InChI=1S/C15H21ClN2O2S/c1-10(2)19-14(21)18-12-6-7-13(16)11(8-12)9-17-20-15(3,4)5/h6-10H,1-5H3,(H,18,21)/b17-9+
InChIKey
RCXQHLSNKCYCLP-RQZCQDPDSA-N
Compound name
O-propan-2-yl N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

328.10123 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10851 177.0
[M+Na]+ 351.09045 183.4
[M-H]- 327.09395 182.0
[M+NH4]+ 346.13505 193.1
[M+K]+ 367.06439 179.3
[M+H-H2O]+ 311.09849 170.9
[M+HCOO]- 373.09943 190.4
[M+CH3COO]- 387.11508 213.1
[M+Na-2H]- 349.07590 177.1
[M]+ 328.10068 183.7
[M]- 328.10178 183.7
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.