CID 9575495

Benzaldehyde, 3-methoxy-4-phenoxy-, [[(methylamino)-l4-sulfanylidyne]methyl]hydrazone

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)OC
InChI
InChI=1S/C16H17N3O2S/c1-17-22-12-19-18-11-13-8-9-15(16(10-13)20-2)21-14-6-4-3-5-7-14/h3-11,17,19H,1-2H3/b18-11+
InChIKey
MGCOYTITIZQWRP-WOJGMQOQSA-N
Compound name
N-[(E)-(3-methoxy-4-phenoxyphenyl)methylideneamino]-1-(methylamino-lambda4-sulfanylidyne)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.10416 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 178.2
[M+Na]+ 338.09338 187.0
[M-H]- 314.09688 183.7
[M+NH4]+ 333.13798 191.2
[M+K]+ 354.06732 181.1
[M+H-H2O]+ 298.10142 163.6
[M+HCOO]- 360.10236 195.4
[M+CH3COO]- 374.11801 216.1
[M+Na-2H]- 336.07883 181.0
[M]+ 315.10361 175.6
[M]- 315.10471 175.6
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.