CID 3236334

296771-47-6

Structural Information

Molecular Formula
C23H22N4O
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CN=CC=C4)C(=O)C1)C
InChI
InChI=1S/C23H22N4O/c1-23(2)11-18-21(19(28)12-23)20(15-7-6-10-26-14-15)17(13-24)22(25)27(18)16-8-4-3-5-9-16/h3-10,14,20H,11-12,25H2,1-2H3
InChIKey
KAZYFTWMQZVBLD-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

370.17935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 196.1
[M+Na]+ 393.16857 206.7
[M-H]- 369.17207 200.9
[M+NH4]+ 388.21317 206.2
[M+K]+ 409.14251 196.1
[M+H-H2O]+ 353.17661 178.6
[M+HCOO]- 415.17755 208.5
[M+CH3COO]- 429.19320 203.1
[M+Na-2H]- 391.15402 196.9
[M]+ 370.17880 187.3
[M]- 370.17990 187.3
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.