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]+ 337.13692 179.8
[M+Na]+ 359.11886 185.2
[M-H]- 335.12236 189.6
[M+NH4]+ 354.16346 194.7
[M+K]+ 375.09280 179.6
[M+H-H2O]+ 319.12690 171.4
[M+HCOO]- 381.12784 199.6
[M+CH3COO]- 395.14349 190.3
[M+Na-2H]- 357.10431 179.5
[M]+ 336.12909 180.6
[M]- 336.13019 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.