CID 364763

Nsc631522

Structural Information

Molecular Formula
C14H10N2O2S
SMILES
C=CCNC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H10N2O2S/c1-2-7-15-14-16-10-11(17)8-5-3-4-6-9(8)12(18)13(10)19-14/h2-6H,1,7H2,(H,15,16)
InChIKey
WYYBABIENBJOLM-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0463 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05358 157.3
[M+Na]+ 293.03552 168.1
[M-H]- 269.03902 162.1
[M+NH4]+ 288.08012 177.1
[M+K]+ 309.00946 162.3
[M+H-H2O]+ 253.04356 151.3
[M+HCOO]- 315.04450 174.9
[M+CH3COO]- 329.06015 170.0
[M+Na-2H]- 291.02097 160.9
[M]+ 270.04575 160.7
[M]- 270.04685 160.7
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.