CID 3009247

4-methoxy-2-pentylquinoline

Structural Information

Molecular Formula
C15H19NO
SMILES
CCCCCC1=NC2=CC=CC=C2C(=C1)OC
InChI
InChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKey
GBEBHUXJNVPKMN-UHFFFAOYSA-N
Compound name
4-methoxy-2-pentylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

229.14667 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 153.4
[M+Na]+ 252.13589 161.5
[M-H]- 228.13939 156.3
[M+NH4]+ 247.18049 171.6
[M+K]+ 268.10983 157.7
[M+H-H2O]+ 212.14393 145.8
[M+HCOO]- 274.14487 174.8
[M+CH3COO]- 288.16052 193.7
[M+Na-2H]- 250.12134 160.2
[M]+ 229.14612 156.9
[M]- 229.14722 156.9
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