CID 9574776

165549-95-1

Structural Information

Molecular Formula
C14H19ClN2O3S
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OC/C(=N/OC)/C
InChI
InChI=1S/C14H19ClN2O3S/c1-9(2)20-14(21)16-11-5-6-12(15)13(7-11)19-8-10(3)17-18-4/h5-7,9H,8H2,1-4H3,(H,16,21)/b17-10+
InChIKey
KXSVLWPNQFSAPP-LICLKQGHSA-N
Compound name
O-propan-2-yl N-[4-chloro-3-[(2E)-2-methoxyiminopropoxy]phenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08778 174.8
[M+Na]+ 353.06972 180.8
[M-H]- 329.07322 179.7
[M+NH4]+ 348.11432 190.4
[M+K]+ 369.04366 177.4
[M+H-H2O]+ 313.07776 168.4
[M+HCOO]- 375.07870 189.3
[M+CH3COO]- 389.09435 213.4
[M+Na-2H]- 351.05517 173.7
[M]+ 330.07995 182.6
[M]- 330.08105 182.6
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.