CID 123618

Tecastemizole

Structural Information

Molecular Formula
C19H21FN4
SMILES
C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)
InChIKey
SFOVDSLXFUGAIV-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

3846
Patents

324.17502 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18230 174.8
[M+Na]+ 347.16424 181.4
[M-H]- 323.16774 178.4
[M+NH4]+ 342.20884 186.1
[M+K]+ 363.13818 173.2
[M+H-H2O]+ 307.17228 162.8
[M+HCOO]- 369.17322 190.9
[M+CH3COO]- 383.18887 183.5
[M+Na-2H]- 345.14969 178.1
[M]+ 324.17447 169.0
[M]- 324.17557 169.0
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

No patent data available for this compound.