CID 7067728

Nps 2390

Structural Information

Molecular Formula
C19H21N3O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
InChI
InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
InChIKey
ZKFVOZCCAXQXBU-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

107
Patents

307.16846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 163.5
[M+Na]+ 330.15768 164.6
[M-H]- 306.16118 159.5
[M+NH4]+ 325.20228 182.0
[M+K]+ 346.13162 159.6
[M+H-H2O]+ 290.16572 151.6
[M+HCOO]- 352.16666 167.3
[M+CH3COO]- 366.18231 169.6
[M+Na-2H]- 328.14313 175.2
[M]+ 307.16791 161.7
[M]- 307.16901 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe