CID 12285710

102207-65-8

Structural Information

Molecular Formula
C20H20N2O
SMILES
CN1CCCC2=C1N(C3=CC=CC=C3C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H20N2O/c1-21-13-7-11-17-19(23)16-10-5-6-12-18(16)22(20(17)21)14-15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKey
GUUWVFUAFAFFJZ-UHFFFAOYSA-N
Compound name
10-benzyl-1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 173.4
[M+Na]+ 327.146778 181.8
[M-H]- 303.150284 178.6
[M+NH4]+ 322.191383 187.4
[M+K]+ 343.120718 174.9
[M+H-H2O]+ 287.154820 162.6
[M+HCOO]- 349.155761 189.7
[M+CH3COO]- 363.171411 183.6
[M+Na-2H]- 325.132226 179.1
[M]+ 304.15701142 171.9
[M]- 304.15810858 171.9
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.