CID 3086356

Benzenepropanamine, n-(4-((dichloro-2-benzothiazolyl)azo)phenyl)-n-methyl-

Structural Information

Molecular Formula
C23H20Cl2N4S
SMILES
CN(CCCC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=CC(=C(C=C4S3)Cl)Cl
InChI
InChI=1S/C23H20Cl2N4S/c1-29(13-5-8-16-6-3-2-4-7-16)18-11-9-17(10-12-18)27-28-23-26-21-14-19(24)20(25)15-22(21)30-23/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
InChIKey
VCTPQXYCVZZODD-UHFFFAOYSA-N
Compound name
4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-methyl-N-(3-phenylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.07858 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.08586 207.8
[M+Na]+ 477.06780 225.1
[M+NH4]+ 472.11240 217.8
[M+K]+ 493.04174 212.4
[M-H]- 453.07130 217.7
[M+Na-2H]- 475.05325 219.4
[M]+ 454.07803 214.4
[M]- 454.07913 214.4
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.