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

103
Patents

307.16846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.175736 163.5
[M+Na]+ 330.157678 164.6
[M-H]- 306.161184 159.5
[M+NH4]+ 325.202283 182.0
[M+K]+ 346.131618 159.6
[M+H-H2O]+ 290.165720 151.6
[M+HCOO]- 352.166661 167.3
[M+CH3COO]- 366.182311 169.6
[M+Na-2H]- 328.143126 175.2
[M]+ 307.16791142 161.7
[M]- 307.16900858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.