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]+ 342.127076 186.6
[M+Na]+ 364.109018 194.8
[M-H]- 340.112524 191.7
[M+NH4]+ 359.153623 198.5
[M+K]+ 380.082958 188.0
[M+H-H2O]+ 324.117060 171.6
[M+HCOO]- 386.118001 203.3
[M+CH3COO]- 400.133651 220.1
[M+Na-2H]- 362.094466 188.3
[M]+ 341.11925142 183.9
[M]- 341.12034858 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.