CID 211265

2-(methylamino)methyl-1,6,7,11b-tetrahydro-2h-dibenz(cd,h)azuzene hydrochloride

Structural Information

Molecular Formula
C19H21N
SMILES
CNCC1CC2C3=CC=CC=C3CCC4=C2C1=CC=C4
InChI
InChI=1S/C19H21N/c1-20-12-15-11-18-16-7-3-2-5-13(16)9-10-14-6-4-8-17(15)19(14)18/h2-8,15,18,20H,9-12H2,1H3
InChIKey
JWNMUEARAOPRBS-UHFFFAOYSA-N
Compound name
N-methyl-1-(15-tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 162.6
[M+Na]+ 286.15662 169.0
[M-H]- 262.16012 169.4
[M+NH4]+ 281.20122 183.4
[M+K]+ 302.13056 165.8
[M+H-H2O]+ 246.16466 158.2
[M+HCOO]- 308.16560 181.8
[M+CH3COO]- 322.18125 174.0
[M+Na-2H]- 284.14207 168.0
[M]+ 263.16685 159.6
[M]- 263.16795 159.6
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.