CID 361453

Nsc624475

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C4=NC=NC=C4
InChI
InChI=1S/C15H19N3O/c19-15(13-1-2-16-8-17-13)18-14-11-4-9-3-10(6-11)7-12(14)5-9/h1-2,8-12,14H,3-7H2,(H,18,19)
InChIKey
TYLGFTQXOGMHCT-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 153.8
[M+Na]+ 280.14202 154.9
[M-H]- 256.14552 149.3
[M+NH4]+ 275.18662 172.3
[M+K]+ 296.11596 151.4
[M+H-H2O]+ 240.15006 144.8
[M+HCOO]- 302.15100 159.8
[M+CH3COO]- 316.16665 161.0
[M+Na-2H]- 278.12747 164.5
[M]+ 257.15225 152.3
[M]- 257.15335 152.3
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