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]+ 271.053576 157.3
[M+Na]+ 293.035518 168.1
[M-H]- 269.039024 162.1
[M+NH4]+ 288.080123 177.1
[M+K]+ 309.009458 162.3
[M+H-H2O]+ 253.043560 151.3
[M+HCOO]- 315.044501 174.9
[M+CH3COO]- 329.060151 170.0
[M+Na-2H]- 291.020966 160.9
[M]+ 270.04575142 160.7
[M]- 270.04684858 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.