CID 3078744

Brn 4600776

Structural Information

Molecular Formula
C22H16ClN5O2S
SMILES
COC1=CC=CC=C1C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H16ClN5O2S/c1-29-19-5-3-2-4-18(19)20(26-25-17-12-8-15(23)9-13-17)24-16-10-6-14(7-11-16)21-27-28-22(31)30-21/h2-13H,1H3,(H,28,31)
InChIKey
NFNKEMFWOCOPMU-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)imino-2-methoxy-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

449.07132 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.07860 204.8
[M+Na]+ 472.06054 220.7
[M+NH4]+ 467.10514 211.9
[M+K]+ 488.03448 211.3
[M-H]- 448.06404 215.2
[M+Na-2H]- 470.04599 216.4
[M]+ 449.07077 210.8
[M]- 449.07187 210.8
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.