CID 855906

4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-amine

Structural Information

Molecular Formula
C14H15NOS
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2C)C)N
InChI
InChI=1S/C14H15NOS/c1-8-4-6-11(7-5-8)13(16)12-9(2)10(3)17-14(12)15/h4-7H,15H2,1-3H3
InChIKey
KNLPGBYZTLBBHO-UHFFFAOYSA-N
Compound name
(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

245.08743 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 156.5
[M+Na]+ 268.07665 168.9
[M+NH4]+ 263.12125 165.5
[M+K]+ 284.05059 162.0
[M-H]- 244.08015 161.2
[M+Na-2H]- 266.06210 162.9
[M]+ 245.08688 160.1
[M]- 245.08798 160.1
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

patents stripe