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

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.