CID 3071979

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

Structural Information

Molecular Formula
C22H22N4O
SMILES
C1CCC(CC1)CN2C=NC3=C2C(=O)N(C4=C3C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C22H22N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2
InChIKey
YCDOREPSVLDWPJ-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

358.17935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18663 187.9
[M+Na]+ 381.16857 196.4
[M-H]- 357.17207 193.7
[M+NH4]+ 376.21317 198.1
[M+K]+ 397.14251 188.0
[M+H-H2O]+ 341.17661 174.9
[M+HCOO]- 403.17755 202.6
[M+CH3COO]- 417.19320 196.6
[M+Na-2H]- 379.15402 191.1
[M]+ 358.17880 186.2
[M]- 358.17990 186.2
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