CID 478665

Schembl9101591

Structural Information

Molecular Formula
C20H16F2N4O2
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N4C(=NC5=C(C4=O)C=CC(=C5)F)C3=O)F
InChI
InChI=1S/C20H16F2N4O2/c1-24-4-6-25(7-5-24)17-10-16-13(9-14(17)22)18(27)19-23-15-8-11(21)2-3-12(15)20(28)26(16)19/h2-3,8-10H,4-7H2,1H3
InChIKey
VSJDFIRDABCLIB-UHFFFAOYSA-N
Compound name
3,8-difluoro-9-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

382.12415 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13143 194.2
[M+Na]+ 405.11337 206.3
[M-H]- 381.11687 196.4
[M+NH4]+ 400.15797 205.5
[M+K]+ 421.08731 197.6
[M+H-H2O]+ 365.12141 181.1
[M+HCOO]- 427.12235 204.6
[M+CH3COO]- 441.13800 202.7
[M+Na-2H]- 403.09882 193.7
[M]+ 382.12360 192.3
[M]- 382.12470 192.3
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