CID 24772165

Soclenicant

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CCN1C=C(C(=O)C2=C1N=CC(=C2)NC3CC4=CC=CC=C4C3)C(=O)N5CCOCC5
InChI
InChI=1S/C24H26N4O3/c1-2-27-15-21(24(30)28-7-9-31-10-8-28)22(29)20-13-19(14-25-23(20)27)26-18-11-16-5-3-4-6-17(16)12-18/h3-6,13-15,18,26H,2,7-12H2,1H3
InChIKey
ZAEIHDZLLJCJFP-UHFFFAOYSA-N
Compound name
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

418.2005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.207776 201.3
[M+Na]+ 441.189718 206.7
[M-H]- 417.193224 208.6
[M+NH4]+ 436.234323 208.6
[M+K]+ 457.163658 201.2
[M+H-H2O]+ 401.197760 189.2
[M+HCOO]- 463.198701 213.6
[M+CH3COO]- 477.214351 208.5
[M+Na-2H]- 439.175166 201.4
[M]+ 418.19995142 199.0
[M]- 418.20104858 199.0
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

patents stripe