CID 3078732

Brn 4565230

Structural Information

Molecular Formula
C21H15N5OS
SMILES
C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=CC=C4
InChI
InChI=1S/C21H15N5OS/c28-21-26-25-20(27-21)16-11-13-17(14-12-16)22-19(15-7-3-1-4-8-15)24-23-18-9-5-2-6-10-18/h1-14H,(H,26,28)
InChIKey
OGVVFDSGVLCKLM-UHFFFAOYSA-N
Compound name
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

385.09973 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10701 190.7
[M+Na]+ 408.08895 198.8
[M-H]- 384.09245 204.6
[M+NH4]+ 403.13355 200.3
[M+K]+ 424.06289 192.6
[M+H-H2O]+ 368.09699 179.4
[M+HCOO]- 430.09793 213.6
[M+CH3COO]- 444.11358 201.3
[M+Na-2H]- 406.07440 195.3
[M]+ 385.09918 192.5
[M]- 385.10028 192.5
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.