CID 4589881

311320-33-9

Structural Information

Molecular Formula
C24H23N3O2
SMILES
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CCC3
InChI
InChI=1S/C24H23N3O2/c1-15-5-3-6-17(13-15)27-20-7-4-8-21(28)23(20)22(19(14-25)24(27)26)16-9-11-18(29-2)12-10-16/h3,5-6,9-13,22H,4,7-8,26H2,1-2H3
InChIKey
NOCYVDILDSUTKL-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyphenyl)-1-(3-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 199.6
[M+Na]+ 408.16824 209.5
[M-H]- 384.17174 205.7
[M+NH4]+ 403.21284 208.8
[M+K]+ 424.14218 199.8
[M+H-H2O]+ 368.17628 182.9
[M+HCOO]- 430.17722 213.1
[M+CH3COO]- 444.19287 206.7
[M+Na-2H]- 406.15369 198.4
[M]+ 385.17847 192.0
[M]- 385.17957 192.0
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.