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

literature stripe

Patent stripe

patents stripe