CID 64509

79013-36-8

Structural Information

Molecular Formula
C15H18FN3O3
SMILES
C1C2CC3(CC1CC(C2)(C3)F)C(=O)OC4=C(NC=N4)C(=O)N
InChI
InChI=1S/C15H18FN3O3/c16-15-4-8-1-9(5-15)3-14(2-8,6-15)13(21)22-12-10(11(17)20)18-7-19-12/h7-9H,1-6H2,(H2,17,20)(H,18,19)
InChIKey
FQNOSAYWKLWSKM-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) 3-fluoroadamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.1332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14048 167.1
[M+Na]+ 330.12242 170.2
[M-H]- 306.12592 160.1
[M+NH4]+ 325.16702 188.3
[M+K]+ 346.09636 166.3
[M+H-H2O]+ 290.13046 158.7
[M+HCOO]- 352.13140 170.0
[M+CH3COO]- 366.14705 173.5
[M+Na-2H]- 328.10787 174.1
[M]+ 307.13265 165.5
[M]- 307.13375 165.5
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