CID 3078743

Brn 4602920

Structural Information

Molecular Formula
C23H19N5O3S
SMILES
COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H19N5O3S/c1-29-18-13-11-17(12-14-18)25-26-21(19-5-3-4-6-20(19)30-2)24-16-9-7-15(8-10-16)22-27-28-23(32)31-22/h3-14H,1-2H3,(H,28,32)
InChIKey
QTGPQBDXKRKZIB-UHFFFAOYSA-N
Compound name
2-methoxy-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

445.12085 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.12813 204.6
[M+Na]+ 468.11007 219.0
[M+NH4]+ 463.15467 210.7
[M+K]+ 484.08401 210.9
[M-H]- 444.11357 214.4
[M+Na-2H]- 466.09552 215.6
[M]+ 445.12030 209.8
[M]- 445.12140 209.8
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.