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

19
References

3868
Patents

324.17502 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.182296 174.8
[M+Na]+ 347.164238 181.4
[M-H]- 323.167744 178.4
[M+NH4]+ 342.208843 186.1
[M+K]+ 363.138178 173.2
[M+H-H2O]+ 307.172280 162.8
[M+HCOO]- 369.173221 190.9
[M+CH3COO]- 383.188871 183.5
[M+Na-2H]- 345.149686 178.1
[M]+ 324.17447142 169.0
[M]- 324.17556858 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

literature stripe

Patent stripe

patents stripe