CID 10287037

Bf-1

Structural Information

Molecular Formula
C22H25NO2S
SMILES
CCOC1=CC2=C(C=C1)C(=C3CCN(CC3)C)C4=C(C=CC=C4S2)OC
InChI
InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3
InChIKey
ANZVBVKYXOGOQC-UHFFFAOYSA-N
Compound name
4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

35
Patents

367.1606 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16788 186.5
[M+Na]+ 390.14982 201.3
[M+NH4]+ 385.19442 196.3
[M+K]+ 406.12376 189.6
[M-H]- 366.15332 192.3
[M+Na-2H]- 388.13527 192.6
[M]+ 367.16005 191.0
[M]- 367.16115 191.0
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