CID 3039468

(+-)-10,11-dihydro-n-methyl-5h-dibenzo(a,d)cyclohepten-5,10-imine-12-ethanamine

Structural Information

Molecular Formula
C18H20N2
SMILES
CNCCN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-12-13-6-2-3-7-14(13)18(20)16-9-5-4-8-15(16)17/h2-9,17-19H,10-12H2,1H3
InChIKey
MATSXSKDDSNFMR-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 160.1
[M+Na]+ 287.15188 167.7
[M-H]- 263.15538 163.2
[M+NH4]+ 282.19648 180.7
[M+K]+ 303.12582 161.5
[M+H-H2O]+ 247.15992 152.4
[M+HCOO]- 309.16086 178.4
[M+CH3COO]- 323.17651 171.3
[M+Na-2H]- 285.13733 167.0
[M]+ 264.16211 160.0
[M]- 264.16321 160.0
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

No patent data available for this compound.