CID 14512535

124621-01-8

Structural Information

Molecular Formula
C19H18Cl2N4O2S
SMILES
CC1=C(C=CC(=C1)N(C)CCOC(=O)C)N=NC2=NC3=C(S2)C(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N4O2S/c1-11-10-13(25(3)8-9-27-12(2)26)4-6-15(11)23-24-19-22-16-7-5-14(20)17(21)18(16)28-19/h4-7,10H,8-9H2,1-3H3
InChIKey
XTWINZWVHARWNM-UHFFFAOYSA-N
Compound name
2-[4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N,3-dimethylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.05276 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06004 201.0
[M+Na]+ 459.04198 215.2
[M+NH4]+ 454.08658 209.0
[M+K]+ 475.01592 205.9
[M-H]- 435.04548 207.0
[M+Na-2H]- 457.02743 208.4
[M]+ 436.05221 205.8
[M]- 436.05331 205.8
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.