CID 75454465

6,6-dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

Structural Information

Molecular Formula
C18H21NOS
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCC(C3)(C)C)N
InChI
InChI=1S/C18H21NOS/c1-11-4-6-12(7-5-11)16(20)15-13-8-9-18(2,3)10-14(13)21-17(15)19/h4-7H,8-10,19H2,1-3H3
InChIKey
YLLLRGILMRXIMY-UHFFFAOYSA-N
Compound name
(2-amino-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1344 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14168 169.4
[M+Na]+ 322.12362 181.2
[M+NH4]+ 317.16822 180.4
[M+K]+ 338.09756 171.7
[M-H]- 298.12712 174.6
[M+Na-2H]- 320.10907 176.5
[M]+ 299.13385 173.2
[M]- 299.13495 173.2
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.