CID 514903

102830-71-7

Structural Information

Molecular Formula
C15H14ClNO3S
SMILES
CS(=O)(=O)C1=CC2=C(N=C1)OC(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H14ClNO3S/c1-21(18,19)13-8-11-4-7-14(20-15(11)17-9-13)10-2-5-12(16)6-3-10/h2-3,5-6,8-9,14H,4,7H2,1H3
InChIKey
PTCGDPJRBUOVKQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

323.0383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04558 168.8
[M+Na]+ 346.02752 178.8
[M-H]- 322.03102 176.0
[M+NH4]+ 341.07212 183.0
[M+K]+ 362.00146 174.3
[M+H-H2O]+ 306.03556 162.0
[M+HCOO]- 368.03650 177.6
[M+CH3COO]- 382.05215 180.3
[M+Na-2H]- 344.01297 174.0
[M]+ 323.03775 173.2
[M]- 323.03885 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.