CID 17859889

1240249-29-9

Structural Information

Molecular Formula
C21H23N
SMILES
CCCCCCC1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C21H23N/c1-2-3-4-5-8-17-11-13-19(14-12-17)21-20-10-7-6-9-18(20)15-16-22-21/h6-7,9-16H,2-5,8H2,1H3
InChIKey
KJFRIHBKWUEOPL-UHFFFAOYSA-N
Compound name
1-(4-hexylphenyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

756
Patents

289.18304 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 172.3
[M+Na]+ 312.17226 189.5
[M+NH4]+ 307.21686 182.3
[M+K]+ 328.14620 177.9
[M-H]- 288.17576 178.7
[M+Na-2H]- 310.15771 182.7
[M]+ 289.18249 176.9
[M]- 289.18359 176.9
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

patents stripe