CID 9800718

Nnc14-0189

Structural Information

Molecular Formula
C20H20FN7O
SMILES
CN1CCN(CC1)C2=NC3=C(N=CN3C4=C2C=C(C=C4)F)C5=NOC(=N5)C6CC6
InChI
InChI=1S/C20H20FN7O/c1-26-6-8-27(9-7-26)18-14-10-13(21)4-5-15(14)28-11-22-16(19(28)24-18)17-23-20(29-25-17)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3
InChIKey
HIBQQLJKYMSZOZ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-[7-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,5-a]quinazolin-3-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.17133 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17861 210.2
[M+Na]+ 416.16055 223.8
[M-H]- 392.16405 216.0
[M+NH4]+ 411.20515 211.7
[M+K]+ 432.13449 214.0
[M+H-H2O]+ 376.16859 197.3
[M+HCOO]- 438.16953 221.9
[M+CH3COO]- 452.18518 217.3
[M+Na-2H]- 414.14600 207.3
[M]+ 393.17078 213.1
[M]- 393.17188 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe