CID 2818325

452923-06-7

Structural Information

Molecular Formula
C19H19FN2O
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C#N
InChI
InChI=1S/C19H19FN2O/c1-11-14(10-21)17(12-4-6-13(20)7-5-12)18-15(22-11)8-19(2,3)9-16(18)23/h4-7,17,22H,8-9H2,1-3H3
InChIKey
PSXWJDFMOXENGN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 173.9
[M+Na]+ 333.13735 185.8
[M-H]- 309.14085 176.7
[M+NH4]+ 328.18195 188.6
[M+K]+ 349.11129 176.4
[M+H-H2O]+ 293.14539 159.4
[M+HCOO]- 355.14633 185.7
[M+CH3COO]- 369.16198 182.9
[M+Na-2H]- 331.12280 174.9
[M]+ 310.14758 165.3
[M]- 310.14868 165.3
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.