CID 9687756

3,4,5-trimethoxybenzaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C18H21N3O3S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H21N3O3S/c1-12-6-5-7-14(8-12)20-18(25)21-19-11-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H2,20,21,25)/b19-11+
InChIKey
IUOWECZPBYDSNS-YBFXNURJSA-N
Compound name
1-(3-methylphenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.13037 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13765 185.6
[M+Na]+ 382.11959 196.4
[M+NH4]+ 377.16419 192.1
[M+K]+ 398.09353 187.6
[M-H]- 358.12309 190.7
[M+Na-2H]- 380.10504 192.4
[M]+ 359.12982 188.8
[M]- 359.13092 188.8
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.