CID 3384265

311315-97-6

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CCC3
InChI
InChI=1S/C24H23N3O2/c1-15-6-10-17(11-7-15)27-20-4-3-5-21(28)23(20)22(19(14-25)24(27)26)16-8-12-18(29-2)13-9-16/h6-13,22H,3-5,26H2,1-2H3
InChIKey
TWHOEKWQZJYNIR-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17902 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 198.7
[M+Na]+ 408.16824 213.1
[M+NH4]+ 403.21284 202.9
[M+K]+ 424.14218 200.9
[M-H]- 384.17174 197.9
[M+Na-2H]- 406.15369 202.9
[M]+ 385.17847 199.8
[M]- 385.17957 199.8
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.