CID 64481

As-triazine, 5-(1-adamantyl)-3-methoxy-

Structural Information

Molecular Formula
C14H19N3O
SMILES
COC1=NC(=CN=N1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H19N3O/c1-18-13-16-12(8-15-17-13)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7H2,1H3
InChIKey
SAMMJDJYLVYPGT-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.15282 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 159.0
[M+Na]+ 268.14204 171.2
[M+NH4]+ 263.18664 171.2
[M+K]+ 284.11598 160.8
[M-H]- 244.14554 158.1
[M+Na-2H]- 266.12749 158.8
[M]+ 245.15227 160.7
[M]- 245.15337 160.7
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