CID 10201497

Ssr161421

Structural Information

Molecular Formula
C25H20N4O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3C(=C2C#N)NCC4=CC=CC=C4
InChI
InChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)25(30)29-24-21(15-26)23(20-9-5-6-10-22(20)28-24)27-16-17-7-3-2-4-8-17/h2-14H,16H2,1H3,(H2,27,28,29,30)
InChIKey
FFHQNQNMELQOEF-UHFFFAOYSA-N
Compound name
N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

91
Patents

408.15863 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.165906 206.0
[M+Na]+ 431.147848 214.3
[M-H]- 407.151354 211.7
[M+NH4]+ 426.192453 213.2
[M+K]+ 447.121788 204.9
[M+H-H2O]+ 391.155890 188.1
[M+HCOO]- 453.156831 223.2
[M+CH3COO]- 467.172481 212.4
[M+Na-2H]- 429.133296 209.0
[M]+ 408.15808142 200.7
[M]- 408.15917858 200.7
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

patents stripe