CID 54678880

Schembl2204153

Structural Information

Molecular Formula
C20H23FN4O3
SMILES
CN1CN2C(=O)C(=C(N=C2C13CCCCC3)C(=O)NCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H23FN4O3/c1-24-12-25-18(28)16(26)15(23-19(25)20(24)9-3-2-4-10-20)17(27)22-11-13-5-7-14(21)8-6-13/h5-8,26H,2-4,9-12H2,1H3,(H,22,27)
InChIKey
NMQQOZFNLBBMFZ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-methyl-4-oxospiro[6H-imidazo[1,5-a]pyrimidine-8,1'-cyclohexane]-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.1754 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18268 191.2
[M+Na]+ 409.16462 198.5
[M-H]- 385.16812 194.3
[M+NH4]+ 404.20922 202.6
[M+K]+ 425.13856 192.3
[M+H-H2O]+ 369.17266 180.1
[M+HCOO]- 431.17360 203.8
[M+CH3COO]- 445.18925 199.1
[M+Na-2H]- 407.15007 191.4
[M]+ 386.17485 186.9
[M]- 386.17595 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe