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]+ 361.145916 189.0
[M+Na]+ 383.127858 199.2
[M-H]- 359.131364 192.3
[M+NH4]+ 378.172463 197.5
[M+K]+ 399.101798 188.8
[M+H-H2O]+ 343.135900 170.8
[M+HCOO]- 405.136841 201.0
[M+CH3COO]- 419.152491 195.8
[M+Na-2H]- 381.113306 189.4
[M]+ 360.13809142 178.4
[M]- 360.13918858 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.