CID 3039386

Dl-12-(methylaminoacetyl)-10,11-dihydro-5,10-imino-(5h)-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C18H18N2O
SMILES
CNCC(=O)N1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H18N2O/c1-19-11-17(21)20-16-10-12-6-2-3-7-13(12)18(20)15-9-5-4-8-14(15)16/h2-9,16,18-19H,10-11H2,1H3
InChIKey
WRVKQGHUIGYJAF-UHFFFAOYSA-N
Compound name
1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(methylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 164.7
[M+Na]+ 301.13112 177.7
[M+NH4]+ 296.17572 174.8
[M+K]+ 317.10506 170.9
[M-H]- 277.13462 167.8
[M+Na-2H]- 299.11657 168.3
[M]+ 278.14135 167.4
[M]- 278.14245 167.4
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