CID 3002022

4-(.alpha.-pyridyl)-4'-dimethylamino thiocarbanilide

Structural Information

Molecular Formula
C20H20N4S
SMILES
CN(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=N3
InChI
InChI=1S/C20H20N4S/c1-24(2)18-12-10-17(11-13-18)23-20(25)22-16-8-6-15(7-9-16)19-5-3-4-14-21-19/h3-14H,1-2H3,(H2,22,23,25)
InChIKey
KEQUFNAEVMXMRJ-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.14087 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14815 181.4
[M+Na]+ 371.13009 186.7
[M-H]- 347.13359 190.7
[M+NH4]+ 366.17469 193.0
[M+K]+ 387.10403 180.6
[M+H-H2O]+ 331.13813 171.0
[M+HCOO]- 393.13907 201.3
[M+CH3COO]- 407.15472 191.2
[M+Na-2H]- 369.11554 185.1
[M]+ 348.14032 181.2
[M]- 348.14142 181.2
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.