CID 4059062

476483-63-3

Structural Information

Molecular Formula
C27H27N3O2
SMILES
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)C1)C
InChI
InChI=1S/C27H27N3O2/c1-4-14-32-20-12-10-18(11-13-20)24-21(17-28)26(29)30(19-8-6-5-7-9-19)22-15-27(2,3)16-23(31)25(22)24/h4-13,24H,1,14-16,29H2,2-3H3
InChIKey
IKMZCWUQTJFBSX-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(4-prop-2-enoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.21033 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21761 207.1
[M+Na]+ 448.19955 221.1
[M+NH4]+ 443.24415 211.9
[M+K]+ 464.17349 206.9
[M-H]- 424.20305 206.0
[M+Na-2H]- 446.18500 212.0
[M]+ 425.20978 208.2
[M]- 425.21088 208.2
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.