CID 9575496

(e)-n-[[(2e)-2-[(3-methoxy-4-phenoxy-phenyl)methylene]hydrazino]methylidyne-$l^{4}-sulfanyl]prop-1-en-1-amine

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
C/C=C/NS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C18H19N3O2S/c1-3-11-21-24-14-20-19-13-15-9-10-17(18(12-15)22-2)23-16-7-5-4-6-8-16/h3-13,20-21H,1-2H3/b11-3+,19-13+
InChIKey
MKKIEZJHTPPIKF-UOKDHEMTSA-N
Compound name
(E)-N-[[(2E)-2-[(3-methoxy-4-phenoxyphenyl)methylidene]hydrazinyl]methylidyne-lambda4-sulfanyl]prop-1-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1198 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12708 186.6
[M+Na]+ 364.10902 194.8
[M-H]- 340.11252 191.7
[M+NH4]+ 359.15362 198.5
[M+K]+ 380.08296 188.0
[M+H-H2O]+ 324.11706 171.6
[M+HCOO]- 386.11800 203.3
[M+CH3COO]- 400.13365 220.1
[M+Na-2H]- 362.09447 188.3
[M]+ 341.11925 183.9
[M]- 341.12035 183.9
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.