CID 6889204

2-((4-(diethylamino)phenyl)methylene)-n-((4-methoxyphenyl)methyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C20H26N4OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+
InChIKey
LNWZCAHWHXGGAY-PXLXIMEGSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

370.18274 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19002 190.1
[M+Na]+ 393.17196 193.4
[M-H]- 369.17546 198.4
[M+NH4]+ 388.21656 202.7
[M+K]+ 409.14590 189.1
[M+H-H2O]+ 353.18000 179.8
[M+HCOO]- 415.18094 212.5
[M+CH3COO]- 429.19659 230.9
[M+Na-2H]- 391.15741 191.6
[M]+ 370.18219 193.4
[M]- 370.18329 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.