CID 112378

70198-17-3

Structural Information

Molecular Formula
C19H19ClN4O2S
SMILES
CCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C19H19ClN4O2S/c1-3-24(10-11-26-13(2)25)16-7-5-15(6-8-16)22-23-19-21-17-9-4-14(20)12-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3
InChIKey
ULNIIFVEDJYBOZ-UHFFFAOYSA-N
Compound name
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

402.09174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09902 192.7
[M+Na]+ 425.08096 205.7
[M+NH4]+ 420.12556 200.7
[M+K]+ 441.05490 197.0
[M-H]- 401.08446 198.8
[M+Na-2H]- 423.06641 201.0
[M]+ 402.09119 197.0
[M]- 402.09229 197.0
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.