CID 9886249

1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine

Structural Information

Molecular Formula
C19H16F2N6O
SMILES
C1CN(CCC12NC3=C(C=CC(=C3C(=N2)N)F)F)C(=O)C4=CN=C(C=C4)C#N
InChI
InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
InChIKey
GIZYIOOBBUHOBS-UHFFFAOYSA-N
Compound name
5-(4-amino-5,8-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

8
Patents

382.13538 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14266 188.7
[M+Na]+ 405.12460 198.4
[M-H]- 381.12810 186.1
[M+NH4]+ 400.16920 195.1
[M+K]+ 421.09854 187.8
[M+H-H2O]+ 365.13264 169.1
[M+HCOO]- 427.13358 194.4
[M+CH3COO]- 441.14923 193.4
[M+Na-2H]- 403.11005 189.8
[M]+ 382.13483 174.7
[M]- 382.13593 174.7
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.