CID 3039378

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

Structural Information

Molecular Formula
C19H20N2O
SMILES
CN(C)CC(=O)N1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C19H20N2O/c1-20(2)12-18(22)21-17-11-13-7-3-4-8-14(13)19(21)16-10-6-5-9-15(16)17/h3-10,17,19H,11-12H2,1-2H3
InChIKey
AZMOFSWXAYOXIG-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-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 168.8
[M+Na]+ 315.14678 175.7
[M-H]- 291.15028 173.1
[M+NH4]+ 310.19138 188.6
[M+K]+ 331.12072 171.2
[M+H-H2O]+ 275.15482 160.9
[M+HCOO]- 337.15576 186.3
[M+CH3COO]- 351.17141 179.7
[M+Na-2H]- 313.13223 173.2
[M]+ 292.15701 170.1
[M]- 292.15811 170.1
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

No patent data available for this compound.