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]+ 330.080396 175.0
[M+Na]+ 352.062338 185.5
[M-H]- 328.065844 177.0
[M+NH4]+ 347.106943 189.4
[M+K]+ 368.036278 176.0
[M+H-H2O]+ 312.070380 164.6
[M+HCOO]- 374.071321 183.6
[M+CH3COO]- 388.086971 184.2
[M+Na-2H]- 350.047786 177.3
[M]+ 329.07257142 170.2
[M]- 329.07366858 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.