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

0
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

literature stripe

Patent stripe

patents stripe