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]+ 246.160096 155.2
[M+Na]+ 268.142038 158.7
[M-H]- 244.145544 149.8
[M+NH4]+ 263.186643 175.2
[M+K]+ 284.115978 155.1
[M+H-H2O]+ 228.150080 144.3
[M+HCOO]- 290.151021 159.9
[M+CH3COO]- 304.166671 162.8
[M+Na-2H]- 266.127486 167.0
[M]+ 245.15227142 156.0
[M]- 245.15336858 156.0
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