CID 389361

Nsc685406

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CC1=CN(C(=O)NC1=O)C(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H21N3O3/c1-9-8-19(14(21)17-13(9)20)15(22)18-16-5-10-2-11(6-16)4-12(3-10)7-16/h8,10-12H,2-7H2,1H3,(H,18,22)(H,17,20,21)
InChIKey
ZISBOQPINIUFKF-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-5-methyl-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 167.2
[M+Na]+ 326.14752 170.7
[M-H]- 302.15102 162.0
[M+NH4]+ 321.19212 185.6
[M+K]+ 342.12146 166.6
[M+H-H2O]+ 286.15556 158.6
[M+HCOO]- 348.15650 171.5
[M+CH3COO]- 362.17215 174.0
[M+Na-2H]- 324.13297 176.9
[M]+ 303.15775 167.0
[M]- 303.15885 167.0
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

No patent data available for this compound.