CID 11247802

Fumiquinazoline a

Structural Information

Molecular Formula
C24H23N5O4
SMILES
C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@]4([C@H]5N[C@H](C(=O)N5C6=CC=CC=C64)C)O
InChI
InChI=1S/C24H23N5O4/c1-12-19-27-16-9-5-3-7-14(16)22(32)28(19)18(20(30)25-12)11-24(33)15-8-4-6-10-17(15)29-21(31)13(2)26-23(24)29/h3-10,12-13,18,23,26,33H,11H2,1-2H3,(H,25,30)/t12-,13-,18+,23-,24-/m0/s1
InChIKey
DQQCCKFZJNINST-VCPZKGNQSA-N
Compound name
(1S,4R)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

4
Patents

445.17502 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 211.0
[M+Na]+ 468.16424 221.2
[M-H]- 444.16774 212.2
[M+NH4]+ 463.20884 220.8
[M+K]+ 484.13818 212.0
[M+H-H2O]+ 428.17228 200.9
[M+HCOO]- 490.17322 215.9
[M+CH3COO]- 504.18887 217.0
[M+Na-2H]- 466.14969 207.9
[M]+ 445.17447 209.2
[M]- 445.17557 209.2
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.