CID 9799966

2cq1x9la4a

Structural Information

Molecular Formula
C20H18FN5O2
SMILES
C1CC1C2=NOC(=C2)C3=C4N=C(C5=C(N4C=N3)C=CC=C5F)N6CCOCC6
InChI
InChI=1S/C20H18FN5O2/c21-13-2-1-3-15-17(13)19(25-6-8-27-9-7-25)23-20-18(22-11-26(15)20)16-10-14(24-28-16)12-4-5-12/h1-3,10-12H,4-9H2
InChIKey
LTGJBZSFPNAUIP-UHFFFAOYSA-N
Compound name
4-[3-(3-cyclopropyl-1,2-oxazol-5-yl)-6-fluoroimidazo[1,5-a]quinazolin-5-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.14444 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15172 195.3
[M+Na]+ 402.13366 208.4
[M-H]- 378.13716 204.2
[M+NH4]+ 397.17826 198.6
[M+K]+ 418.10760 201.8
[M+H-H2O]+ 362.14170 183.8
[M+HCOO]- 424.14264 209.1
[M+CH3COO]- 438.15829 204.3
[M+Na-2H]- 400.11911 194.8
[M]+ 379.14389 199.2
[M]- 379.14499 199.2
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