CID 505800

Schembl9105433

Structural Information

Molecular Formula
C19H14FIN4O2
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N=C4C(=O)C5=C(N4C3=O)C=CC(=C5)I)F
InChI
InChI=1S/C19H14FIN4O2/c20-13-8-11-14(9-16(13)24-5-3-22-4-6-24)23-18-17(26)12-7-10(21)1-2-15(12)25(18)19(11)27/h1-2,7-9,22H,3-6H2
InChIKey
DZCHNZQDEZKYJD-UHFFFAOYSA-N
Compound name
2-fluoro-8-iodo-3-piperazin-1-ylindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

476.01456 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.02184 177.0
[M+Na]+ 499.00378 180.9
[M-H]- 475.00728 171.8
[M+NH4]+ 494.04838 183.6
[M+K]+ 514.97772 178.3
[M+H-H2O]+ 459.01182 162.4
[M+HCOO]- 521.01276 183.4
[M+CH3COO]- 535.02841 182.0
[M+Na-2H]- 496.98923 168.9
[M]+ 476.01401 171.6
[M]- 476.01511 171.6
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