CID 101652163

N-methylschinifoline

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC(=C)/C=C/C1=C(C2=CC=CC=C2N(C1=O)C)OC
InChI
InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+
InChIKey
KUJRJLUCKWRGPV-MDZDMXLPSA-N
Compound name
4-methoxy-1-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.4
[M+Na]+ 278.11515 173.2
[M+NH4]+ 273.15975 166.0
[M+K]+ 294.08909 165.4
[M-H]- 254.11865 160.3
[M+Na-2H]- 276.10060 164.0
[M]+ 255.12538 161.0
[M]- 255.12648 161.0
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