CID 5052103

1-(2-thienyl)-2,2-di(4-toluidino)ethanone

Structural Information

Molecular Formula
C20H20N2OS
SMILES
CC1=CC=C(C=C1)NC(C(=O)C2=CC=CS2)NC3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2OS/c1-14-5-9-16(10-6-14)21-20(19(23)18-4-3-13-24-18)22-17-11-7-15(2)8-12-17/h3-13,20-22H,1-2H3
InChIKey
NOHSFOSUWZTWII-UHFFFAOYSA-N
Compound name
2,2-bis(4-methylanilino)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12964 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.136916 179.8
[M+Na]+ 359.118858 185.2
[M-H]- 335.122364 189.6
[M+NH4]+ 354.163463 194.7
[M+K]+ 375.092798 179.6
[M+H-H2O]+ 319.126900 171.4
[M+HCOO]- 381.127841 199.6
[M+CH3COO]- 395.143491 190.3
[M+Na-2H]- 357.104306 179.5
[M]+ 336.12909142 180.6
[M]- 336.13018858 180.6
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.