CID 9575506

4-ethoxy-n-[[(2e)-2-[(3-methoxy-4-phenoxy-phenyl)methylene]hydrazino]methylidyne-$l^{4}-sulfanyl]aniline

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
CCOC1=CC=C(C=C1)NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C23H23N3O3S/c1-3-28-20-12-10-19(11-13-20)26-30-17-25-24-16-18-9-14-22(23(15-18)27-2)29-21-7-5-4-6-8-21/h4-16,25-26H,3H2,1-2H3/b24-16+
InChIKey
FWRBIYFQJZYHKA-LFVJCYFKSA-N
Compound name
4-ethoxy-N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.14603 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.153306 207.3
[M+Na]+ 444.135248 215.3
[M-H]- 420.138754 214.4
[M+NH4]+ 439.179853 215.8
[M+K]+ 460.109188 207.4
[M+H-H2O]+ 404.143290 190.9
[M+HCOO]- 466.144231 223.6
[M+CH3COO]- 480.159881 233.9
[M+Na-2H]- 442.120696 208.6
[M]+ 421.14548142 205.8
[M]- 421.14657858 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.