CID 64512

79013-42-6

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C)C
InChI
InChI=1S/C18H25N3O3/c1-15-4-16(2)6-17(3,5-15)9-18(7-15,8-16)14(23)24-13-11(12(19)22)20-10-21-13/h10H,4-9H2,1-3H3,(H2,19,22)(H,20,21)
InChIKey
NGEIRZOWUFHJIN-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.1896 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 178.3
[M+Na]+ 354.17882 184.1
[M+NH4]+ 349.22342 191.3
[M+K]+ 370.15276 173.7
[M-H]- 330.18232 174.6
[M+Na-2H]- 352.16427 177.3
[M]+ 331.18905 178.3
[M]- 331.19015 178.3
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

patents stripe