CID 515189

1-phenoxathiin-2-ylethyl naphthylcarbamate

Structural Information

Molecular Formula
C25H19NO3S
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)OC(=O)NC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C25H19NO3S/c1-16(28-25(27)26-20-12-10-17-6-2-3-7-19(17)14-20)18-11-13-22-24(15-18)30-23-9-5-4-8-21(23)29-22/h2-16H,1H3,(H,26,27)
InChIKey
NSSQOGDLHHKKNJ-UHFFFAOYSA-N
Compound name
1-phenoxathiin-2-ylethyl N-naphthalen-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.10855 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11583 192.6
[M+Na]+ 436.09777 198.6
[M-H]- 412.10127 201.3
[M+NH4]+ 431.14237 204.0
[M+K]+ 452.07171 194.2
[M+H-H2O]+ 396.10581 183.1
[M+HCOO]- 458.10675 204.8
[M+CH3COO]- 472.12240 201.4
[M+Na-2H]- 434.08322 198.6
[M]+ 413.10800 195.5
[M]- 413.10910 195.5
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.