CID 3961019

309277-31-4

Structural Information

Molecular Formula
C24H22BrFN4O
SMILES
CN(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N
InChI
InChI=1S/C24H22BrFN4O/c1-29(2)16-9-6-14(7-10-16)22-17(13-27)24(28)30(19-11-8-15(25)12-18(19)26)20-4-3-5-21(31)23(20)22/h6-12,22H,3-5,28H2,1-2H3
InChIKey
DSTGRWJEOFPCIX-UHFFFAOYSA-N
Compound name
2-amino-1-(4-bromo-2-fluorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.0961 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.10338 209.5
[M+Na]+ 503.08532 214.0
[M+NH4]+ 498.12992 210.2
[M+K]+ 519.05926 208.0
[M-H]- 479.08882 206.9
[M+Na-2H]- 501.07077 209.7
[M]+ 480.09555 207.7
[M]- 480.09665 207.7
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.