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

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.