CID 3078738

Brn 4593809

Structural Information

Molecular Formula
C23H20N6OS
SMILES
CN(C)C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=CC=C4
InChI
InChI=1S/C23H20N6OS/c1-29(2)20-14-10-16(11-15-20)21(26-25-19-6-4-3-5-7-19)24-18-12-8-17(9-13-18)22-27-28-23(31)30-22/h3-15H,1-2H3,(H,28,31)
InChIKey
KUPVJQSMZAXMCW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-N-phenylimino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14922 200.3
[M+Na]+ 451.13116 214.2
[M+NH4]+ 446.17576 207.3
[M+K]+ 467.10510 205.9
[M-H]- 427.13466 211.5
[M+Na-2H]- 449.11661 212.6
[M]+ 428.14139 205.9
[M]- 428.14249 205.9
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.