CID 117122

71383-06-7

Structural Information

Molecular Formula
C23H28N6OS2
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NN=C(S2)SCC)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28N6OS2/c1-4-14-29(15-5-2)18-12-13-19(25-26-22-27-28-23(32-22)31-6-3)20(16-18)24-21(30)17-10-8-7-9-11-17/h7-13,16H,4-6,14-15H2,1-3H3,(H,24,30)
InChIKey
PIKSLOKRKSLCIQ-UHFFFAOYSA-N
Compound name
N-[5-(dipropylamino)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1766 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.18388 210.3
[M+Na]+ 491.16582 215.4
[M-H]- 467.16932 220.5
[M+NH4]+ 486.21042 219.1
[M+K]+ 507.13976 209.0
[M+H-H2O]+ 451.17386 198.9
[M+HCOO]- 513.17480 227.4
[M+CH3COO]- 527.19045 247.9
[M+Na-2H]- 489.15127 210.3
[M]+ 468.17605 217.2
[M]- 468.17715 217.2
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.