CID 21037077

3-(4-methylbenzoyl)-4h,5h,7h-thieno[2,3-c]pyran-2-amine

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCOC3)N
InChI
InChI=1S/C15H15NO2S/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-18-8-12(11)19-15(13)16/h2-5H,6-8,16H2,1H3
InChIKey
JEXLMJZPIFTEMP-UHFFFAOYSA-N
Compound name
(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

273.08234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 160.8
[M+Na]+ 296.07156 168.7
[M-H]- 272.07506 168.9
[M+NH4]+ 291.11616 178.9
[M+K]+ 312.04550 165.4
[M+H-H2O]+ 256.07960 154.9
[M+HCOO]- 318.08054 176.9
[M+CH3COO]- 332.09619 173.0
[M+Na-2H]- 294.05701 161.5
[M]+ 273.08179 161.3
[M]- 273.08289 161.3
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