CID 6875569

49773-67-3

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C17H19N3O2S/c1-12-5-4-6-14(9-12)19-17(23)20-18-11-13-7-8-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H2,19,20,23)/b18-11+
InChIKey
PJYSCNIRGUVFFF-WOJGMQOQSA-N
Compound name
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1198 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 177.6
[M+Na]+ 352.10902 188.8
[M+NH4]+ 347.15362 184.9
[M+K]+ 368.08296 179.5
[M-H]- 328.11252 183.3
[M+Na-2H]- 350.09447 185.4
[M]+ 329.11925 181.1
[M]- 329.12035 181.1
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.