CID 6451015

165550-02-7

Structural Information

Molecular Formula
C15H21NO3S
SMILES
C/C=C\COC1=C(C=CC(=C1)NC(=S)OC(C)C)OC
InChI
InChI=1S/C15H21NO3S/c1-5-6-9-18-14-10-12(7-8-13(14)17-4)16-15(20)19-11(2)3/h5-8,10-11H,9H2,1-4H3,(H,16,20)/b6-5-
InChIKey
VDSKJGXTBJNVDS-WAYWQWQTSA-N
Compound name
O-propan-2-yl N-[3-[(Z)-but-2-enoxy]-4-methoxyphenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 169.6
[M+Na]+ 318.11342 175.3
[M-H]- 294.11692 172.9
[M+NH4]+ 313.15802 185.5
[M+K]+ 334.08736 172.1
[M+H-H2O]+ 278.12146 162.5
[M+HCOO]- 340.12240 186.8
[M+CH3COO]- 354.13805 204.3
[M+Na-2H]- 316.09887 168.4
[M]+ 295.12365 175.2
[M]- 295.12475 175.2
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.