CID 10089772

Fumiquinazoline f

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
InChIKey
SUVZUTHVKIBYOH-KPZWWZAWSA-N
Compound name
(1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
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 187.7
[M+Na]+ 381.13219 204.5
[M+NH4]+ 376.17679 194.9
[M+K]+ 397.10613 197.6
[M-H]- 357.13569 190.8
[M+Na-2H]- 379.11764 193.0
[M]+ 358.14242 191.0
[M]- 358.14352 191.0
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.