CID 363530

Nsc628462

Structural Information

Molecular Formula
C23H33NO3
SMILES
CCCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2)C)OC
InChI
InChI=1S/C23H33NO3/c1-4-5-6-7-8-9-10-11-12-13-14-19-21(25)20-18(16-15-17(2)24-20)22(26)23(19)27-3/h15-16H,4-14H2,1-3H3
InChIKey
VCOLYANUYFCENQ-UHFFFAOYSA-N
Compound name
7-dodecyl-6-methoxy-2-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25331 194.4
[M+Na]+ 394.23525 200.9
[M-H]- 370.23875 196.4
[M+NH4]+ 389.27985 207.1
[M+K]+ 410.20919 195.6
[M+H-H2O]+ 354.24329 185.6
[M+HCOO]- 416.24423 212.1
[M+CH3COO]- 430.25988 224.0
[M+Na-2H]- 392.22070 193.8
[M]+ 371.24548 201.8
[M]- 371.24658 201.8
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.