CID 505803

Schembl9102861

Structural Information

Molecular Formula
C20H16FIN4O2
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N=C4C(=O)C5=C(N4C3=O)C=CC(=C5)I)F
InChI
InChI=1S/C20H16FIN4O2/c1-10-9-25(5-4-23-10)17-8-15-12(7-14(17)21)20(28)26-16-3-2-11(22)6-13(16)18(27)19(26)24-15/h2-3,6-8,10,23H,4-5,9H2,1H3
InChIKey
HXWNYCKVLMZCIL-UHFFFAOYSA-N
Compound name
2-fluoro-8-iodo-3-(3-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

490.0302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.03748 182.4
[M+Na]+ 513.01942 186.6
[M-H]- 489.02292 177.4
[M+NH4]+ 508.06402 188.6
[M+K]+ 528.99336 183.9
[M+H-H2O]+ 473.02746 167.8
[M+HCOO]- 535.02840 188.3
[M+CH3COO]- 549.04405 187.2
[M+Na-2H]- 511.00487 173.0
[M]+ 490.02965 177.6
[M]- 490.03075 177.6
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