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

literature stripe

Patent stripe

patents stripe