CID 59841048

870281-85-9

Structural Information

Molecular Formula
C22H24FN3O3
SMILES
CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C22H24FN3O3/c1-5-16(25-21(28)29-22(2,3)4)19-24-17-13-9-12-15(23)18(17)20(27)26(19)14-10-7-6-8-11-14/h6-13,16H,5H2,1-4H3,(H,25,28)/t16-/m0/s1
InChIKey
QFOZQYXYXFTQNB-INIZCTEOSA-N
Compound name
tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

397.18018 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18746 195.6
[M+Na]+ 420.16940 207.9
[M+NH4]+ 415.21400 200.3
[M+K]+ 436.14334 201.9
[M-H]- 396.17290 196.8
[M+Na-2H]- 418.15485 201.3
[M]+ 397.17963 197.5
[M]- 397.18073 197.5
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