CID 198405

Id-9206 hcl

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

4
Patents

263.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.0
[M+Na]+ 286.15662 171.5
[M-H]- 262.16012 168.0
[M+NH4]+ 281.20122 188.8
[M+K]+ 302.13056 164.9
[M+H-H2O]+ 246.16466 157.0
[M+HCOO]- 308.16560 184.6
[M+CH3COO]- 322.18125 175.4
[M+Na-2H]- 284.14207 169.0
[M]+ 263.16685 165.0
[M]- 263.16795 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