CID 4982879

311776-36-0

Structural Information

Molecular Formula
C21H17FN4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H17FN4O/c22-14-6-8-15(9-7-14)26-17-4-1-5-18(27)20(17)19(16(11-23)21(26)24)13-3-2-10-25-12-13/h2-3,6-10,12,19H,1,4-5,24H2
InChIKey
ZLICYNSGOUKIBS-UHFFFAOYSA-N
Compound name
2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.13864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14592 189.0
[M+Na]+ 383.12786 199.2
[M-H]- 359.13136 192.3
[M+NH4]+ 378.17246 197.5
[M+K]+ 399.10180 188.8
[M+H-H2O]+ 343.13590 170.8
[M+HCOO]- 405.13684 201.0
[M+CH3COO]- 419.15249 195.8
[M+Na-2H]- 381.11331 189.4
[M]+ 360.13809 178.4
[M]- 360.13919 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.