CID 478654

8-fluoro-1-methylindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C16H9FN2O2
SMILES
CC1=C2C(=CC=C1)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)F
InChI
InChI=1S/C16H9FN2O2/c1-8-3-2-4-11-13(8)16(21)19-12-6-5-9(17)7-10(12)14(20)15(19)18-11/h2-7H,1H3
InChIKey
BLKZWDXMVLWQNU-UHFFFAOYSA-N
Compound name
8-fluoro-1-methylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

280.06482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07210 161.1
[M+Na]+ 303.05404 175.3
[M-H]- 279.05754 165.2
[M+NH4]+ 298.09864 180.0
[M+K]+ 319.02798 168.6
[M+H-H2O]+ 263.06208 152.4
[M+HCOO]- 325.06302 180.2
[M+CH3COO]- 339.07867 174.1
[M+Na-2H]- 301.03949 166.5
[M]+ 280.06427 164.1
[M]- 280.06537 164.1
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