CID 198405

60070-44-2

Structural Information

Molecular Formula
C19H21N
SMILES
CNCCCC12CC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C19H21N/c1-20-12-6-11-19-13-16(14-7-2-4-9-17(14)19)15-8-3-5-10-18(15)19/h2-5,7-10,16,20H,6,11-13H2,1H3
InChIKey
GNHHEQNIAAPGJW-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 163.0
[M+Na]+ 286.156618 171.5
[M-H]- 262.160124 168.0
[M+NH4]+ 281.201223 188.8
[M+K]+ 302.130558 164.9
[M+H-H2O]+ 246.164660 157.0
[M+HCOO]- 308.165601 184.6
[M+CH3COO]- 322.181251 175.4
[M+Na-2H]- 284.142066 169.0
[M]+ 263.16685142 165.0
[M]- 263.16794858 165.0
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