CID 3033677

Altanserin

Structural Information

Molecular Formula
C22H22FN3O2S
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S
InChI
InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChIKey
SMYALUSCZJXWHG-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

103
References

837
Patents

411.14166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14894 196.1
[M+Na]+ 434.13088 210.2
[M+NH4]+ 429.17548 202.1
[M+K]+ 450.10482 200.0
[M-H]- 410.13438 199.3
[M+Na-2H]- 432.11633 202.6
[M]+ 411.14111 199.4
[M]- 411.14221 199.4
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