CID 105417

67338-62-9

Structural Information

Molecular Formula
C21H24N6OS2
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=NN=C(S3)SCC)NC(=O)C
InChI
InChI=1S/C21H24N6OS2/c1-4-27(14-16-9-7-6-8-10-16)17-11-12-18(19(13-17)22-15(3)28)23-24-20-25-26-21(30-20)29-5-2/h6-13H,4-5,14H2,1-3H3,(H,22,28)
InChIKey
XGPMVIYCGUOGIO-UHFFFAOYSA-N
Compound name
N-[5-[benzyl(ethyl)amino]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

440.1453 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15258 199.5
[M+Na]+ 463.13452 209.6
[M+NH4]+ 458.17912 206.2
[M+K]+ 479.10846 200.4
[M-H]- 439.13802 206.9
[M+Na-2H]- 461.11997 208.5
[M]+ 440.14475 203.7
[M]- 440.14585 203.7
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.