CID 3044574

6h-benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C19H20N2O
SMILES
CN(C)CCC1=CC2=C3N1C4=CC=CC=C4OCC3=CC=C2
InChI
InChI=1S/C19H20N2O/c1-20(2)11-10-16-12-14-6-5-7-15-13-22-18-9-4-3-8-17(18)21(16)19(14)15/h3-9,12H,10-11,13H2,1-2H3
InChIKey
IVVWUGOOCYHTFI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.2
[M+Na]+ 315.14678 177.8
[M-H]- 291.15028 177.4
[M+NH4]+ 310.19138 187.1
[M+K]+ 331.12072 177.4
[M+H-H2O]+ 275.15482 163.0
[M+HCOO]- 337.15576 189.7
[M+CH3COO]- 351.17141 181.3
[M+Na-2H]- 313.13223 176.2
[M]+ 292.15701 172.4
[M]- 292.15811 172.4
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

No patent data available for this compound.