CID 3018769

78291-25-5

Structural Information

Molecular Formula
C9H9N3O3S
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NCCO
InChI
InChI=1S/C9H9N3O3S/c13-4-3-10-9-11-7-5-6(12(14)15)1-2-8(7)16-9/h1-2,5,13H,3-4H2,(H,10,11)
InChIKey
ZIOCRCDLXZNNCB-UHFFFAOYSA-N
Compound name
2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.03647 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.043746 144.1
[M+Na]+ 262.025688 152.6
[M-H]- 238.029194 147.0
[M+NH4]+ 257.070293 162.2
[M+K]+ 277.999628 144.7
[M+H-H2O]+ 222.033730 142.4
[M+HCOO]- 284.034671 165.0
[M+CH3COO]- 298.050321 182.6
[M+Na-2H]- 260.011136 151.8
[M]+ 239.03592142 145.6
[M]- 239.03701858 145.6
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

patents stripe