CID 7728679

4-(benzyloxy)-3-methoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CCNC(=S)N/N=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C18H21N3O2S/c1-3-19-18(24)21-20-12-15-9-10-16(17(11-15)22-2)23-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H2,19,21,24)/b20-12+
InChIKey
MQASSOLEBJZUEL-UDWIEESQSA-N
Compound name
1-ethyl-3-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 181.4
[M+Na]+ 366.12466 192.1
[M+NH4]+ 361.16926 188.6
[M+K]+ 382.09860 182.4
[M-H]- 342.12816 187.0
[M+Na-2H]- 364.11011 189.2
[M]+ 343.13489 184.8
[M]- 343.13599 184.8
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.