CID 505850

Schembl9101610

Structural Information

Molecular Formula
C23H23FN2O2
SMILES
CCCCCCCCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC(=C4)F)C2=O
InChI
InChI=1S/C23H23FN2O2/c1-2-3-4-5-6-7-8-15-9-12-20-18(13-15)21(27)22-25-19-14-16(24)10-11-17(19)23(28)26(20)22/h9-14H,2-8H2,1H3
InChIKey
CPFPVLRKEXDODF-UHFFFAOYSA-N
Compound name
3-fluoro-8-octylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.17435 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18163 194.2
[M+Na]+ 401.16357 204.9
[M-H]- 377.16707 196.7
[M+NH4]+ 396.20817 208.9
[M+K]+ 417.13751 196.8
[M+H-H2O]+ 361.17161 183.8
[M+HCOO]- 423.17255 210.6
[M+CH3COO]- 437.18820 203.9
[M+Na-2H]- 399.14902 195.6
[M]+ 378.17380 199.2
[M]- 378.17490 199.2
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

patents stripe