CID 199343

4053-11-6

Structural Information

Molecular Formula
C19H21N
SMILES
CN(C)CC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-20(2)12-13-11-18-14-7-3-5-9-16(14)19(13)17-10-6-4-8-15(17)18/h3-10,13,18-19H,11-12H2,1-2H3
InChIKey
KOIRVMFZPVMONM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

263.1674 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 159.4
[M+Na]+ 286.15662 163.6
[M-H]- 262.16012 162.6
[M+NH4]+ 281.20122 180.9
[M+K]+ 302.13056 159.3
[M+H-H2O]+ 246.16466 150.8
[M+HCOO]- 308.16560 173.7
[M+CH3COO]- 322.18125 169.7
[M+Na-2H]- 284.14207 168.6
[M]+ 263.16685 161.3
[M]- 263.16795 161.3
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.