CID 478668

Schembl9105666

Structural Information

Molecular Formula
C20H17FN4O2
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N4C(=NC5=CC=CC=C5C4=O)C3=O)F
InChI
InChI=1S/C20H17FN4O2/c1-11-10-24(7-6-22-11)17-9-16-13(8-14(17)21)18(26)19-23-15-5-3-2-4-12(15)20(27)25(16)19/h2-5,8-9,11,22H,6-7,10H2,1H3
InChIKey
UBIHQXWWOAQGDZ-UHFFFAOYSA-N
Compound name
8-fluoro-9-(3-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.13354 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14082 189.6
[M+Na]+ 387.12276 200.4
[M-H]- 363.12626 191.5
[M+NH4]+ 382.16736 200.7
[M+K]+ 403.09670 191.4
[M+H-H2O]+ 347.13080 177.7
[M+HCOO]- 409.13174 199.7
[M+CH3COO]- 423.14739 197.8
[M+Na-2H]- 385.10821 190.2
[M]+ 364.13299 186.6
[M]- 364.13409 186.6
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