CID 54698257

Chembl554745

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CC1(C2=NC(=C(C(=O)N2CN1C)O)C(=O)NCC3=CC=C(C=C3)F)C
InChI
InChI=1S/C17H19FN4O3/c1-17(2)16-20-12(13(23)15(25)22(16)9-21(17)3)14(24)19-8-10-4-6-11(18)7-5-10/h4-7,23H,8-9H2,1-3H3,(H,19,24)
InChIKey
ZMNBZCGHGFFNNU-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-7,8,8-trimethyl-4-oxo-6H-imidazo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

346.1441 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 179.3
[M+Na]+ 369.13332 190.1
[M-H]- 345.13682 181.9
[M+NH4]+ 364.17792 193.1
[M+K]+ 385.10726 184.8
[M+H-H2O]+ 329.14136 170.1
[M+HCOO]- 391.14230 196.2
[M+CH3COO]- 405.15795 214.1
[M+Na-2H]- 367.11877 180.7
[M]+ 346.14355 180.6
[M]- 346.14465 180.6
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