CID 374858

Nsc653318

Structural Information

Molecular Formula
C21H21N3O3
SMILES
C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C6=CC=CC=C6OC5=O)NC4=O
InChI
InChI=1S/C21H21N3O3/c25-19-18(24-21-8-11-5-12(9-21)7-13(6-11)10-21)22-17-16(23-19)14-3-1-2-4-15(14)27-20(17)26/h1-4,11-13H,5-10H2,(H,22,24)(H,23,25)
InChIKey
LCRTYFSWUXCOCY-UHFFFAOYSA-N
Compound name
3-(1-adamantylamino)-1H-chromeno[3,4-b]pyrazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 170.4
[M+Na]+ 386.14752 174.8
[M-H]- 362.15102 167.9
[M+NH4]+ 381.19212 185.9
[M+K]+ 402.12146 169.8
[M+H-H2O]+ 346.15556 157.1
[M+HCOO]- 408.15650 173.2
[M+CH3COO]- 422.17215 176.7
[M+Na-2H]- 384.13297 183.8
[M]+ 363.15775 172.0
[M]- 363.15885 172.0
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

No patent data available for this compound.