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

67
Patents

397.18018 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.187456 197.3
[M+Na]+ 420.169398 204.6
[M-H]- 396.172904 201.1
[M+NH4]+ 415.214003 206.5
[M+K]+ 436.143338 199.8
[M+H-H2O]+ 380.177440 186.3
[M+HCOO]- 442.178381 213.1
[M+CH3COO]- 456.194031 226.2
[M+Na-2H]- 418.154846 200.1
[M]+ 397.17963142 199.4
[M]- 397.18072858 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