CID 17732294

3-(allyloxy)benzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C17H17N3OS
SMILES
C=CCOC1=CC=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C17H17N3OS/c1-2-11-21-16-10-6-7-14(12-16)13-18-20-17(22)19-15-8-4-3-5-9-15/h2-10,12-13H,1,11H2,(H2,19,20,22)/b18-13+
InChIKey
UPTZNSDUOXALJM-QGOAFFKASA-N
Compound name
1-phenyl-3-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10922 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 171.8
[M+Na]+ 334.09844 176.9
[M-H]- 310.10194 179.2
[M+NH4]+ 329.14304 186.4
[M+K]+ 350.07238 171.0
[M+H-H2O]+ 294.10648 162.7
[M+HCOO]- 356.10742 194.2
[M+CH3COO]- 370.12307 211.7
[M+Na-2H]- 332.08389 175.6
[M]+ 311.10867 172.6
[M]- 311.10977 172.6
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.