CID 14178257

84425-43-4

Structural Information

Molecular Formula
C22H19N7S
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(S2)N=NC3=CC=CC=C3)C#N
InChI
InChI=1S/C22H19N7S/c1-2-29(14-6-13-23)20-11-9-19(10-12-20)26-28-22-17(16-24)15-21(30-22)27-25-18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,14H2,1H3
InChIKey
CUQJFZXXXTYBNZ-UHFFFAOYSA-N
Compound name
2-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-5-phenyldiazenylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

413.14227 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14955 212.3
[M+Na]+ 436.13149 220.7
[M-H]- 412.13499 221.0
[M+NH4]+ 431.17609 220.7
[M+K]+ 452.10543 214.9
[M+H-H2O]+ 396.13953 192.6
[M+HCOO]- 458.14047 227.1
[M+CH3COO]- 472.15612 255.1
[M+Na-2H]- 434.11694 210.5
[M]+ 413.14172 207.3
[M]- 413.14282 207.3
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

patents stripe