CID 3073946

153804-70-7

Structural Information

Molecular Formula
C25H33NO3S
SMILES
CCCN(CCCOC1=CC=CC2=C1SCCC2)C3CC4=C(C=CC=C4OC)OC3
InChI
InChI=1S/C25H33NO3S/c1-3-13-26(20-17-21-22(27-2)10-5-11-23(21)29-18-20)14-7-15-28-24-12-4-8-19-9-6-16-30-25(19)24/h4-5,8,10-12,20H,3,6-7,9,13-18H2,1-2H3
InChIKey
CMTFGDDZISTFJA-UHFFFAOYSA-N
Compound name
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

427.2181 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22538 201.3
[M+Na]+ 450.20732 203.4
[M-H]- 426.21082 208.8
[M+NH4]+ 445.25192 212.0
[M+K]+ 466.18126 200.3
[M+H-H2O]+ 410.21536 191.3
[M+HCOO]- 472.21630 211.9
[M+CH3COO]- 486.23195 208.6
[M+Na-2H]- 448.19277 202.6
[M]+ 427.21755 204.4
[M]- 427.21865 204.4
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