CID 5469530

Nsc689538

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18N4O2S/c1-12(22)19-14-5-3-13(4-6-14)11-18-21-17(24)20-15-7-9-16(23-2)10-8-15/h3-11H,1-2H3,(H,19,22)(H2,20,21,24)/b18-11+
InChIKey
GLFXYPNFSKVAJD-WOJGMQOQSA-N
Compound name
N-[4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

342.11505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 179.4
[M+Na]+ 365.10427 183.8
[M-H]- 341.10777 187.0
[M+NH4]+ 360.14887 192.4
[M+K]+ 381.07821 179.3
[M+H-H2O]+ 325.11231 169.9
[M+HCOO]- 387.11325 201.7
[M+CH3COO]- 401.12890 220.5
[M+Na-2H]- 363.08972 182.2
[M]+ 342.11450 180.5
[M]- 342.11560 180.5
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.