CID 3078740

Brn 4602948

Structural Information

Molecular Formula
C23H19ClN6OS
SMILES
CN(C)C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19ClN6OS/c1-30(2)20-13-5-15(6-14-20)21(27-26-19-11-7-17(24)8-12-19)25-18-9-3-16(4-10-18)22-28-29-23(32)31-22/h3-14H,1-2H3,(H,29,32)
InChIKey
AMPVDYSLFGDQLX-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)imino-4-(dimethylamino)-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

462.10297 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.11025 209.2
[M+Na]+ 485.09219 224.3
[M+NH4]+ 480.13679 216.4
[M+K]+ 501.06613 215.0
[M-H]- 461.09569 220.5
[M+Na-2H]- 483.07764 221.0
[M]+ 462.10242 215.3
[M]- 462.10352 215.3
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.