CID 363529

Nsc628461

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)N=CC=C2)OC
InChI
InChI=1S/C22H31NO3/c1-3-4-5-6-7-8-9-10-11-12-14-18-20(24)19-17(15-13-16-23-19)21(25)22(18)26-2/h13,15-16H,3-12,14H2,1-2H3
InChIKey
GCRVEGKHRVHFNY-UHFFFAOYSA-N
Compound name
7-dodecyl-6-methoxyquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 190.1
[M+Na]+ 380.21962 196.2
[M-H]- 356.22312 192.0
[M+NH4]+ 375.26422 203.1
[M+K]+ 396.19356 191.0
[M+H-H2O]+ 340.22766 181.2
[M+HCOO]- 402.22860 208.2
[M+CH3COO]- 416.24425 219.8
[M+Na-2H]- 378.20507 190.8
[M]+ 357.22985 196.8
[M]- 357.23095 196.8
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.