CID 49856296

Ganaplacide

Structural Information

Molecular Formula
C22H23F2N5O
SMILES
CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C
InChI
InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3
InChIKey
BUPRVECGWBHCQV-UHFFFAOYSA-N
Compound name
2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

348
Patents

411.18707 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19435 199.0
[M+Na]+ 434.17629 207.5
[M-H]- 410.17979 203.3
[M+NH4]+ 429.22089 209.5
[M+K]+ 450.15023 199.9
[M+H-H2O]+ 394.18433 186.3
[M+HCOO]- 456.18527 214.3
[M+CH3COO]- 470.20092 206.9
[M+Na-2H]- 432.16174 198.2
[M]+ 411.18652 195.1
[M]- 411.18762 195.1
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