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 169.6
[M+Na]+ 346.09289 173.5
[M-H]- 322.09639 163.9
[M+NH4]+ 341.13749 191.2
[M+K]+ 362.06683 168.8
[M+H-H2O]+ 306.10093 163.1
[M+HCOO]- 368.10187 169.5
[M+CH3COO]- 382.11752 176.4
[M+Na-2H]- 344.07834 176.9
[M]+ 323.10312 171.1
[M]- 323.10422 171.1
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