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 163.2
[M+Na]+ 301.13112 170.6
[M-H]- 277.13462 166.3
[M+NH4]+ 296.17572 183.0
[M+K]+ 317.10506 165.0
[M+H-H2O]+ 261.13916 155.7
[M+HCOO]- 323.14010 180.7
[M+CH3COO]- 337.15575 174.2
[M+Na-2H]- 299.11657 169.0
[M]+ 278.14135 163.1
[M]- 278.14245 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