CID 505852

Schembl5619138

Structural Information

Molecular Formula
C18H14FN3O3
SMILES
CN(CCO)C1=CC2=C(C=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2
InChI
InChI=1S/C18H14FN3O3/c1-21(6-7-23)11-3-4-12-14(9-11)20-17-16(24)13-8-10(19)2-5-15(13)22(17)18(12)25/h2-5,8-9,23H,6-7H2,1H3
InChIKey
XPUYKHZRLSYDNX-UHFFFAOYSA-N
Compound name
8-fluoro-3-[2-hydroxyethyl(methyl)amino]indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

339.10193 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10921 176.3
[M+Na]+ 362.09115 187.9
[M-H]- 338.09465 180.0
[M+NH4]+ 357.13575 192.2
[M+K]+ 378.06509 182.3
[M+H-H2O]+ 322.09919 167.0
[M+HCOO]- 384.10013 194.8
[M+CH3COO]- 398.11578 187.6
[M+Na-2H]- 360.07660 180.6
[M]+ 339.10138 180.2
[M]- 339.10248 180.2
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

No patent data available for this compound.