CID 9575505

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

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
CCOC1=CC=CC=C1NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C23H23N3O3S/c1-3-28-21-12-8-7-11-20(21)26-30-17-25-24-16-18-13-14-22(23(15-18)27-2)29-19-9-5-4-6-10-19/h4-16,25-26H,3H2,1-2H3/b24-16+
InChIKey
SONWRUDCWBXHQE-LFVJCYFKSA-N
Compound name
2-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]+ 422.15331 207.3
[M+Na]+ 444.13525 215.3
[M-H]- 420.13875 214.4
[M+NH4]+ 439.17985 215.8
[M+K]+ 460.10919 207.4
[M+H-H2O]+ 404.14329 190.9
[M+HCOO]- 466.14423 223.6
[M+CH3COO]- 480.15988 233.9
[M+Na-2H]- 442.12070 208.6
[M]+ 421.14548 205.8
[M]- 421.14658 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.