CID 113245

Einecs 264-216-9

Structural Information

Molecular Formula
C18H20N4O4S2
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N=NC3=CC=C(C=C3)N(CCO)CCO
InChI
InChI=1S/C18H20N4O4S2/c1-28(25,26)15-6-7-16-17(12-15)27-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3
InChIKey
ZVPFNHQYOQGSQI-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.0926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09988 194.9
[M+Na]+ 443.08182 202.6
[M-H]- 419.08532 202.4
[M+NH4]+ 438.12642 206.9
[M+K]+ 459.05576 197.3
[M+H-H2O]+ 403.08986 186.7
[M+HCOO]- 465.09080 211.0
[M+CH3COO]- 479.10645 229.0
[M+Na-2H]- 441.06727 200.0
[M]+ 420.09205 203.1
[M]- 420.09315 203.1
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