CID 65906

Mizolastine

Structural Information

Molecular Formula
C24H25FN6O
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5
InChI
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
InChIKey
PVLJETXTTWAYEW-UHFFFAOYSA-N
Compound name
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

120
References

13189
Patents

432.2074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.214676 204.7
[M+Na]+ 455.196618 211.9
[M-H]- 431.200124 210.5
[M+NH4]+ 450.241223 208.9
[M+K]+ 471.170558 202.8
[M+H-H2O]+ 415.204660 189.6
[M+HCOO]- 477.205601 217.8
[M+CH3COO]- 491.221251 211.2
[M+Na-2H]- 453.182066 205.3
[M]+ 432.20685142 201.3
[M]- 432.20794858 201.3
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