CID 5278695

Chembl371652

Structural Information

Molecular Formula
C19H18N2O4S
SMILES
CCOC1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N2O4S/c1-2-24-14-9-7-13(8-10-14)20-19(26)25-12-11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10H,2,11-12H2,1H3,(H,20,26)
InChIKey
NEHNGJABCDLXJD-UHFFFAOYSA-N
Compound name
O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-ethoxyphenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.09872 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10600 186.1
[M+Na]+ 393.08794 193.8
[M-H]- 369.09144 192.6
[M+NH4]+ 388.13254 200.2
[M+K]+ 409.06188 188.9
[M+H-H2O]+ 353.09598 178.3
[M+HCOO]- 415.09692 203.0
[M+CH3COO]- 429.11257 216.2
[M+Na-2H]- 391.07339 185.8
[M]+ 370.09817 191.8
[M]- 370.09927 191.8
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.