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

25
Patents

273.08234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.089616 160.8
[M+Na]+ 296.071558 168.7
[M-H]- 272.075064 168.9
[M+NH4]+ 291.116163 178.9
[M+K]+ 312.045498 165.4
[M+H-H2O]+ 256.079600 154.9
[M+HCOO]- 318.080541 176.9
[M+CH3COO]- 332.096191 173.0
[M+Na-2H]- 294.057006 161.5
[M]+ 273.08179142 161.3
[M]- 273.08288858 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