CID 3046634

62469-29-8

Structural Information

Molecular Formula
C26H25N
SMILES
C1CC2=CC=CC=C2N(C1)CC=C3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C26H25N/c1-4-12-23-20(8-1)15-16-21-9-2-5-13-24(21)25(23)17-19-27-18-7-11-22-10-3-6-14-26(22)27/h1-6,8-10,12-14,17H,7,11,15-16,18-19H2
InChIKey
PFJILXGCQXVMKW-UHFFFAOYSA-N
Compound name
1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1987 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20598 188.0
[M+Na]+ 374.18792 193.1
[M-H]- 350.19142 195.4
[M+NH4]+ 369.23252 201.3
[M+K]+ 390.16186 187.7
[M+H-H2O]+ 334.19596 179.6
[M+HCOO]- 396.19690 201.7
[M+CH3COO]- 410.21255 196.1
[M+Na-2H]- 372.17337 192.3
[M]+ 351.19815 180.7
[M]- 351.19925 180.7
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.