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]+ 279.149176 163.2
[M+Na]+ 301.131118 170.6
[M-H]- 277.134624 166.3
[M+NH4]+ 296.175723 183.0
[M+K]+ 317.105058 165.0
[M+H-H2O]+ 261.139160 155.7
[M+HCOO]- 323.140101 180.7
[M+CH3COO]- 337.155751 174.2
[M+Na-2H]- 299.116566 169.0
[M]+ 278.14135142 163.1
[M]- 278.14244858 163.1
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