CID 131620

Dv-7028

Structural Information

Molecular Formula
C21H25FN4O3
SMILES
C1CCN2C(=NC(=O)N(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C1
InChI
InChI=1S/C21H25FN4O3/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29/h4-7,16H,1-3,8-14H2
InChIKey
ABLOJQGCNLNCFS-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

8
Patents

400.19107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19835 198.4
[M+Na]+ 423.18029 203.9
[M-H]- 399.18379 200.7
[M+NH4]+ 418.22489 203.6
[M+K]+ 439.15423 196.9
[M+H-H2O]+ 383.18833 184.1
[M+HCOO]- 445.18927 207.1
[M+CH3COO]- 459.20492 204.3
[M+Na-2H]- 421.16574 197.4
[M]+ 400.19052 192.8
[M]- 400.19162 192.8
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