CID 481747

Ryuvidine

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C
InChI
InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3
InChIKey
HFPLHASLIOXVGS-UHFFFAOYSA-N
Compound name
2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

399
Patents

284.06195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 162.5
[M+Na]+ 307.05117 173.5
[M-H]- 283.05467 170.1
[M+NH4]+ 302.09577 180.8
[M+K]+ 323.02511 168.1
[M+H-H2O]+ 267.05921 155.7
[M+HCOO]- 329.06015 181.2
[M+CH3COO]- 343.07580 175.4
[M+Na-2H]- 305.03662 164.0
[M]+ 284.06140 165.9
[M]- 284.06250 165.9
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

patents stripe