CID 122662787

Bexicaserin

Structural Information

Molecular Formula
C15H19F2N3O
SMILES
C[C@H]1CN2CCNCC3=C2C1=C(C=C3)C(=O)NCC(F)F
InChI
InChI=1S/C15H19F2N3O/c1-9-8-20-5-4-18-6-10-2-3-11(13(9)14(10)20)15(21)19-7-12(16)17/h2-3,9,12,18H,4-8H2,1H3,(H,19,21)/t9-/m0/s1
InChIKey
KGOOOHQKLRUVSF-VIFPVBQESA-N
Compound name
(3R)-N-(2,2-difluoroethyl)-3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

295.14963 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.156906 163.6
[M+Na]+ 318.138848 168.7
[M-H]- 294.142354 163.1
[M+NH4]+ 313.183453 178.8
[M+K]+ 334.112788 167.5
[M+H-H2O]+ 278.146890 154.8
[M+HCOO]- 340.147831 175.7
[M+CH3COO]- 354.163481 172.3
[M+Na-2H]- 316.124296 164.3
[M]+ 295.14908142 156.0
[M]- 295.15017858 156.0
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