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 197.3
[M+Na]+ 420.16940 204.6
[M-H]- 396.17290 201.1
[M+NH4]+ 415.21400 206.5
[M+K]+ 436.14334 199.8
[M+H-H2O]+ 380.17744 186.3
[M+HCOO]- 442.17838 213.1
[M+CH3COO]- 456.19403 226.2
[M+Na-2H]- 418.15485 200.1
[M]+ 397.17963 199.4
[M]- 397.18073 199.4
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