CID 3078733

Brn 4585078

Structural Information

Molecular Formula
C22H17N5O2S
SMILES
COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4
InChI
InChI=1S/C22H17N5O2S/c1-28-19-13-11-18(12-14-19)24-25-20(15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)21-26-27-22(30)29-21/h2-14H,1H3,(H,27,30)
InChIKey
UXRJTQSQCLVFGV-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)imino-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

415.1103 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11758 196.3
[M+Na]+ 438.09952 211.1
[M+NH4]+ 433.14412 203.2
[M+K]+ 454.07346 202.5
[M-H]- 414.10302 206.6
[M+Na-2H]- 436.08497 208.3
[M]+ 415.10975 201.8
[M]- 415.11085 201.8
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.