CID 64465

66148-57-0

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N
InChI
InChI=1S/C15H19N3O3/c16-12(19)11-13(18-7-17-11)21-14(20)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H2,16,19)(H,17,18)
InChIKey
HKEMXZXNABJZPE-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) adamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

289.14264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 162.3
[M+Na]+ 312.13186 164.0
[M-H]- 288.13536 156.4
[M+NH4]+ 307.17646 182.3
[M+K]+ 328.10580 160.7
[M+H-H2O]+ 272.13990 155.1
[M+HCOO]- 334.14084 166.3
[M+CH3COO]- 348.15649 169.0
[M+Na-2H]- 310.11731 169.1
[M]+ 289.14209 161.3
[M]- 289.14319 161.3
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

No patent data available for this compound.