CID 109044

61049-90-9

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCCCN(CCO)C1=CC=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N5OS/c1-2-3-13-25(14-15-26)18-11-9-17(10-12-18)22-23-20-21-19(24-27-20)16-7-5-4-6-8-16/h4-12,26H,2-3,13-15H2,1H3
InChIKey
FOVVNVHNNGUMFG-UHFFFAOYSA-N
Compound name
2-[N-butyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16232 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 189.7
[M+Na]+ 404.15154 201.6
[M+NH4]+ 399.19614 197.0
[M+K]+ 420.12548 193.2
[M-H]- 380.15504 196.9
[M+Na-2H]- 402.13699 199.7
[M]+ 381.16177 193.8
[M]- 381.16287 193.8
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.