CID 119813

Disperse red 152

Structural Information

Molecular Formula
C19H17Cl2N5S
SMILES
CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl)C
InChI
InChI=1S/C19H17Cl2N5S/c1-3-26(8-4-7-22)13-5-6-16(12(2)9-13)24-25-19-23-17-10-14(20)15(21)11-18(17)27-19/h5-6,9-11H,3-4,8H2,1-2H3
InChIKey
QPFHNWRKKQLCMG-UHFFFAOYSA-N
Compound name
3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

417.05817 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.06545 207.4
[M+Na]+ 440.04739 220.6
[M-H]- 416.05089 215.5
[M+NH4]+ 435.09199 221.1
[M+K]+ 456.02133 212.1
[M+H-H2O]+ 400.05543 192.7
[M+HCOO]- 462.05637 218.6
[M+CH3COO]- 476.07202 216.4
[M+Na-2H]- 438.03284 207.0
[M]+ 417.05762 212.5
[M]- 417.05872 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe