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

42
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

patents stripe