CID 162463

41362-82-7

Structural Information

Molecular Formula
C17H13Cl2N5S
SMILES
CN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl
InChI
InChI=1S/C17H13Cl2N5S/c1-24(8-2-7-20)12-5-3-11(4-6-12)22-23-17-21-15-9-13(18)14(19)10-16(15)25-17/h3-6,9-10H,2,8H2,1H3
InChIKey
ZYGZQXAGOIGRCZ-UHFFFAOYSA-N
Compound name
3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

389.0269 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03418 186.3
[M+Na]+ 412.01612 200.5
[M+NH4]+ 407.06072 192.1
[M+K]+ 427.99006 187.6
[M-H]- 388.01962 185.7
[M+Na-2H]- 410.00157 192.3
[M]+ 389.02635 188.4
[M]- 389.02745 188.4
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.