CID 131752802

Schinifoline?

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC(=C)/C=C/C1=C(C2=CC=CC=C2NC1=O)OC
InChI
InChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+
InChIKey
KOFVUVJGUULEKJ-CMDGGOBGSA-N
Compound name
4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

241.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 153.5
[M+Na]+ 264.099498 162.7
[M-H]- 240.103004 155.6
[M+NH4]+ 259.144103 170.6
[M+K]+ 280.073438 157.3
[M+H-H2O]+ 224.107540 146.7
[M+HCOO]- 286.108481 173.1
[M+CH3COO]- 300.124131 192.2
[M+Na-2H]- 262.084946 158.0
[M]+ 241.10973142 154.2
[M]- 241.11082858 154.2
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