CID 60149

Sertindole

Structural Information

Molecular Formula
C24H26ClFN4O
SMILES
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O
InChI
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
InChIKey
GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Compound name
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

452
References

13302
Patents

440.17792 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18520 208.0
[M+Na]+ 463.16714 215.4
[M-H]- 439.17064 213.4
[M+NH4]+ 458.21174 216.1
[M+K]+ 479.14108 205.4
[M+H-H2O]+ 423.17518 194.8
[M+HCOO]- 485.17612 214.6
[M+CH3COO]- 499.19177 214.4
[M+Na-2H]- 461.15259 201.4
[M]+ 440.17737 204.4
[M]- 440.17847 204.4
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