CID 6965

6-dodecyl-1,2-dihydro-2,2,4-trimethylquinoline

Structural Information

Molecular Formula
C24H39N
SMILES
CCCCCCCCCCCCC1=CC2=C(C=C1)NC(C=C2C)(C)C
InChI
InChI=1S/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3
InChIKey
DOFLWDGGNKBGSL-UHFFFAOYSA-N
Compound name
6-dodecyl-2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1046
Patents

341.30826 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.31554 191.6
[M+Na]+ 364.29748 196.3
[M-H]- 340.30098 191.7
[M+NH4]+ 359.34208 206.8
[M+K]+ 380.27142 189.4
[M+H-H2O]+ 324.30552 183.5
[M+HCOO]- 386.30646 206.6
[M+CH3COO]- 400.32211 217.0
[M+Na-2H]- 362.28293 192.4
[M]+ 341.30771 194.1
[M]- 341.30881 194.1
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