CID 6918388

Sarizotan

Structural Information

Molecular Formula
C22H21FN2O
SMILES
C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1
InChIKey
HKFMQJUJWSFOLY-OAQYLSRUSA-N
Compound name
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

47
References

2805
Patents

348.1638 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17108 183.7
[M+Na]+ 371.15302 189.5
[M-H]- 347.15652 191.1
[M+NH4]+ 366.19762 194.0
[M+K]+ 387.12696 183.5
[M+H-H2O]+ 331.16106 171.5
[M+HCOO]- 393.16200 201.1
[M+CH3COO]- 407.17765 192.7
[M+Na-2H]- 369.13847 189.0
[M]+ 348.16325 180.4
[M]- 348.16435 180.4
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