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]+ 344.142716 180.5
[M+Na]+ 366.124658 185.3
[M-H]- 342.128164 187.9
[M+NH4]+ 361.169263 193.9
[M+K]+ 382.098598 180.5
[M+H-H2O]+ 326.132700 171.0
[M+HCOO]- 388.133641 202.4
[M+CH3COO]- 402.149291 218.7
[M+Na-2H]- 364.110106 183.2
[M]+ 343.13489142 184.0
[M]- 343.13598858 184.0
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.