CID 2317080

Brn 4884634

Structural Information

Molecular Formula
C24H17NO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C24H17NO2S/c26-24(16-27-21-13-7-9-17-8-1-2-10-18(17)21)25-19-11-3-5-14-22(19)28-23-15-6-4-12-20(23)25/h1-15H,16H2
InChIKey
GSTPYWQVDHSGNJ-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yloxy-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.098 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10528 187.2
[M+Na]+ 406.08722 194.9
[M-H]- 382.09072 194.2
[M+NH4]+ 401.13182 200.2
[M+K]+ 422.06116 187.8
[M+H-H2O]+ 366.09526 177.1
[M+HCOO]- 428.09620 199.1
[M+CH3COO]- 442.11185 196.3
[M+Na-2H]- 404.07267 193.0
[M]+ 383.09745 189.4
[M]- 383.09855 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.