CID 362271

Nsc625882

Structural Information

Molecular Formula
C19H14N2O2S
SMILES
CC1=CC(=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C19H14N2O2S/c1-10-7-8-14(11(2)9-10)20-19-21-15-16(22)12-5-3-4-6-13(12)17(23)18(15)24-19/h3-9H,1-2H3,(H,20,21)
InChIKey
LYWOAEKZOHLZQE-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0776 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.084876 176.2
[M+Na]+ 357.066818 187.5
[M-H]- 333.070324 184.5
[M+NH4]+ 352.111423 193.4
[M+K]+ 373.040758 180.9
[M+H-H2O]+ 317.074860 168.9
[M+HCOO]- 379.075801 193.2
[M+CH3COO]- 393.091451 188.2
[M+Na-2H]- 355.052266 178.2
[M]+ 334.07705142 180.2
[M]- 334.07814858 180.2
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.