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

1
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

patents stripe