CID 14618562

110553-23-6

Structural Information

Molecular Formula
C23H19ClN8O2S
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C(=C(S2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C#N
InChI
InChI=1S/C23H19ClN8O2S/c1-3-31(12-4-11-25)17-7-5-16(6-8-17)27-30-23-19(14-26)15(2)22(35-23)29-28-21-10-9-18(32(33)34)13-20(21)24/h5-10,13H,3-4,12H2,1-2H3
InChIKey
QAZQXUXLFPIDJJ-UHFFFAOYSA-N
Compound name
5-[(2-chloro-4-nitrophenyl)diazenyl]-2-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-4-methylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.10403 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.11131 221.7
[M+Na]+ 529.09325 229.6
[M+NH4]+ 524.13785 221.4
[M+K]+ 545.06719 218.8
[M-H]- 505.09675 217.1
[M+Na-2H]- 527.07870 222.0
[M]+ 506.10348 220.6
[M]- 506.10458 220.6
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.