CID 209299

Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(n,n-dimethylglycyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H24N2O
SMILES
CN(C)CC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1
InChI
InChI=1S/C21H24N2O/c1-22(2)14-20(24)23-12-17-8-5-7-16-11-10-15-6-3-4-9-18(15)19(13-23)21(16)17/h3-9,19H,10-14H2,1-2H3
InChIKey
IDHDGJMZUSSQCV-UHFFFAOYSA-N
Compound name
1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-2-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 176.0
[M+Na]+ 343.17809 180.7
[M-H]- 319.18159 181.8
[M+NH4]+ 338.22269 191.8
[M+K]+ 359.15203 179.9
[M+H-H2O]+ 303.18613 168.9
[M+HCOO]- 365.18707 191.0
[M+CH3COO]- 379.20272 185.5
[M+Na-2H]- 341.16354 180.7
[M]+ 320.18832 173.1
[M]- 320.18942 173.1
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.