CID 14512534

124621-00-7

Structural Information

Molecular Formula
C19H18Cl2N4O2S
SMILES
CC1=C(C=CC(=C1)N(C)CCOC(=O)C)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl
InChI
InChI=1S/C19H18Cl2N4O2S/c1-11-8-13(25(3)6-7-27-12(2)26)4-5-16(11)23-24-19-22-17-9-14(20)15(21)10-18(17)28-19/h4-5,8-10H,6-7H2,1-3H3
InChIKey
CHZNDFIHIUCGGN-UHFFFAOYSA-N
Compound name
2-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N,3-dimethylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
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 203.0
[M+Na]+ 459.04198 213.6
[M-H]- 435.04548 213.7
[M+NH4]+ 454.08658 217.7
[M+K]+ 475.01592 208.2
[M+H-H2O]+ 419.05002 195.1
[M+HCOO]- 481.05096 217.5
[M+CH3COO]- 495.06661 238.3
[M+Na-2H]- 457.02743 203.3
[M]+ 436.05221 216.4
[M]- 436.05331 216.4
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.