CID 478663

Schembl9107579

Structural Information

Molecular Formula
C20H17FN4O2
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N4C(=NC5=CC=CC=C5C4=O)C3=O)F
InChI
InChI=1S/C20H17FN4O2/c1-23-6-8-24(9-7-23)17-11-16-13(10-14(17)21)18(26)19-22-15-5-3-2-4-12(15)20(27)25(16)19/h2-5,10-11H,6-9H2,1H3
InChIKey
FLCMFXCWRKPSTM-UHFFFAOYSA-N
Compound name
8-fluoro-9-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

364.13354 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14082 189.7
[M+Na]+ 387.12276 200.9
[M-H]- 363.12626 192.9
[M+NH4]+ 382.16736 201.5
[M+K]+ 403.09670 192.7
[M+H-H2O]+ 347.13080 177.4
[M+HCOO]- 409.13174 201.3
[M+CH3COO]- 423.14739 198.6
[M+Na-2H]- 385.10821 190.6
[M]+ 364.13299 188.4
[M]- 364.13409 188.4
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

patents stripe