CID 9575519

2-phenoxy-5-[(e)-[[[[(e)-prop-1-enyl]amino]-$l^{4}-sulfanylidyne]methylhydrazono]methyl]phenol

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
C/C=C/NS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C17H17N3O2S/c1-2-10-20-23-13-19-18-12-14-8-9-17(16(21)11-14)22-15-6-4-3-5-7-15/h2-12,19-21H,1H3/b10-2+,18-12+
InChIKey
VECMVIWRQVACAO-RTMOKHNWSA-N
Compound name
2-phenoxy-5-[(E)-[[[[(E)-prop-1-enyl]amino]-lambda4-sulfanylidyne]methylhydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.10416 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 183.5
[M+Na]+ 350.09338 191.7
[M-H]- 326.09688 187.6
[M+NH4]+ 345.13798 195.3
[M+K]+ 366.06732 184.4
[M+H-H2O]+ 310.10142 169.0
[M+HCOO]- 372.10236 199.1
[M+CH3COO]- 386.11801 215.4
[M+Na-2H]- 348.07883 185.3
[M]+ 327.10361 178.8
[M]- 327.10471 178.8
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.