CID 11325800

Ardeemin fq

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C[C@@H]1C(=O)N[C@H](C2=NC3=CC=CC=C3C(=O)N12)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H18N4O2/c1-12-20(26)24-18(10-13-11-22-16-8-4-2-6-14(13)16)19-23-17-9-5-3-7-15(17)21(27)25(12)19/h2-9,11-12,18,22H,10H2,1H3,(H,24,26)/t12-,18+/m1/s1
InChIKey
FHOFNRAVYAGXCQ-XIKOKIGWSA-N
Compound name
(1S,4R)-1-(1H-indol-3-ylmethyl)-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

358.14297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 187.9
[M+Na]+ 381.13219 198.8
[M-H]- 357.13569 190.2
[M+NH4]+ 376.17679 198.6
[M+K]+ 397.10613 189.2
[M+H-H2O]+ 341.14023 177.1
[M+HCOO]- 403.14117 200.2
[M+CH3COO]- 417.15682 196.5
[M+Na-2H]- 379.11764 191.2
[M]+ 358.14242 186.9
[M]- 358.14352 186.9
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.