CID 3086941

Brn 5123580

Structural Information

Molecular Formula
C17H13ClFN3O
SMILES
C1C(=O)NCC12NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C17H13ClFN3O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)22-17(21-14)8-15(23)20-9-17/h1-7,21H,8-9H2,(H,20,23)
InChIKey
FBZZFERPOIOJFG-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-fluorophenyl)spiro[1H-quinazoline-2,4'-pyrrolidine]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.07312 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08040 175.0
[M+Na]+ 352.06234 185.5
[M-H]- 328.06584 177.0
[M+NH4]+ 347.10694 189.4
[M+K]+ 368.03628 176.0
[M+H-H2O]+ 312.07038 164.6
[M+HCOO]- 374.07132 183.6
[M+CH3COO]- 388.08697 184.2
[M+Na-2H]- 350.04779 177.3
[M]+ 329.07257 170.2
[M]- 329.07367 170.2
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

No patent data available for this compound.