CID 116787

2-(dodecylbenzyl)-4-methylquinoline

Structural Information

Molecular Formula
C29H39N
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)CC2=CC(=NC3=CC=CC=C32)C
InChI
InChI=1S/C29H39N/c1-3-4-5-6-7-8-9-10-11-12-15-25-18-20-26(21-19-25)23-27-22-24(2)30-29-17-14-13-16-28(27)29/h13-14,16-22H,3-12,15,23H2,1-2H3
InChIKey
UMUPCMLMQMZQFX-UHFFFAOYSA-N
Compound name
4-[(4-dodecylphenyl)methyl]-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.30826 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.31554 208.4
[M+Na]+ 424.29748 212.4
[M-H]- 400.30098 212.3
[M+NH4]+ 419.34208 218.9
[M+K]+ 440.27142 203.9
[M+H-H2O]+ 384.30552 197.0
[M+HCOO]- 446.30646 225.7
[M+CH3COO]- 460.32211 230.1
[M+Na-2H]- 422.28293 208.8
[M]+ 401.30771 212.5
[M]- 401.30881 212.5
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.