CID 24772165

Qp49ay37oy

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
1
Annotation Hits

0
References

63
Patents

418.2005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 201.3
[M+Na]+ 441.18972 206.7
[M-H]- 417.19322 208.6
[M+NH4]+ 436.23432 208.6
[M+K]+ 457.16366 201.2
[M+H-H2O]+ 401.19776 189.2
[M+HCOO]- 463.19870 213.6
[M+CH3COO]- 477.21435 208.5
[M+Na-2H]- 439.17517 201.4
[M]+ 418.19995 199.0
[M]- 418.20105 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