CID 9575501

Benzaldehyde, 3-methoxy-4-phenoxy-, [[[(2-methylphenyl)amino]-l4-sulfanylidyne]methyl]hydrazone

Structural Information

Molecular Formula
C22H21N3O2S
SMILES
CC1=CC=CC=C1NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)OC
InChI
InChI=1S/C22H21N3O2S/c1-17-8-6-7-11-20(17)25-28-16-24-23-15-18-12-13-21(22(14-18)26-2)27-19-9-4-3-5-10-19/h3-15,24-25H,1-2H3/b23-15+
InChIKey
XUNKPKNZRQELLB-HZHRSRAPSA-N
Compound name
N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.13544 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14272 201.6
[M+Na]+ 414.12466 210.3
[M-H]- 390.12816 208.9
[M+NH4]+ 409.16926 211.4
[M+K]+ 430.09860 201.9
[M+H-H2O]+ 374.13270 185.6
[M+HCOO]- 436.13364 218.0
[M+CH3COO]- 450.14929 229.4
[M+Na-2H]- 412.11011 203.1
[M]+ 391.13489 198.7
[M]- 391.13599 198.7
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.