CID 64510

79013-37-9

Structural Information

Molecular Formula
C15H18ClN3O3
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=C(NC=N4)C(=O)N
InChI
InChI=1S/C15H18ClN3O3/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
NJSKIZPPQRQXGT-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) 3-chloroadamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.10367 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11095 168.3
[M+Na]+ 346.09289 175.8
[M+NH4]+ 341.13749 179.5
[M+K]+ 362.06683 168.4
[M-H]- 322.09639 164.9
[M+Na-2H]- 344.07834 165.6
[M]+ 323.10312 168.5
[M]- 323.10422 168.5
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