CID 3071976

4h-imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-hexyl-5-phenyl-

Structural Information

Molecular Formula
C21H22N4O
SMILES
CCCCCCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O/c1-2-3-4-8-14-24-15-23-18-17-12-9-13-22-20(17)25(21(26)19(18)24)16-10-6-5-7-11-16/h5-7,9-13,15H,2-4,8,14H2,1H3
InChIKey
OIGDTMLXJFHZGL-UHFFFAOYSA-N
Compound name
3-hexyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

346.17935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 186.6
[M+Na]+ 369.16857 197.4
[M-H]- 345.17207 190.2
[M+NH4]+ 364.21317 198.3
[M+K]+ 385.14251 189.3
[M+H-H2O]+ 329.17661 174.9
[M+HCOO]- 391.17755 204.8
[M+CH3COO]- 405.19320 196.5
[M+Na-2H]- 367.15402 191.3
[M]+ 346.17880 191.5
[M]- 346.17990 191.5
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