CID 3078736

Brn 4602922

Structural Information

Molecular Formula
C23H19N5O3S
SMILES
COC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C3=NNC(=S)O3)N=NC4=CC=C(C=C4)OC
InChI
InChI=1S/C23H19N5O3S/c1-29-19-11-5-15(6-12-19)21(26-25-18-9-13-20(30-2)14-10-18)24-17-7-3-16(4-8-17)22-27-28-23(32)31-22/h3-14H,1-2H3,(H,28,32)
InChIKey
YQJVACDHQQPAHX-UHFFFAOYSA-N
Compound name
4-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]+ 446.128126 207.3
[M+Na]+ 468.110068 215.3
[M-H]- 444.113574 221.5
[M+NH4]+ 463.154673 214.6
[M+K]+ 484.084008 210.2
[M+H-H2O]+ 428.118110 195.5
[M+HCOO]- 490.119051 229.6
[M+CH3COO]- 504.134701 217.1
[M+Na-2H]- 466.095516 209.8
[M]+ 445.12030142 213.0
[M]- 445.12139858 213.0
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.