CID 209311

Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-3-(3-(dimethylamino)propyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2
SMILES
CN1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1CCCN(C)C
InChI
InChI=1S/C23H30N2/c1-24(2)15-7-12-22-20-11-6-9-18-14-13-17-8-4-5-10-19(17)21(23(18)20)16-25(22)3/h4-6,8-11,21-22H,7,12-16H2,1-3H3
InChIKey
WOTDJYYQXRZVTC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(16-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 183.7
[M+Na]+ 357.23012 188.4
[M-H]- 333.23362 189.3
[M+NH4]+ 352.27472 199.3
[M+K]+ 373.20406 186.5
[M+H-H2O]+ 317.23816 176.1
[M+HCOO]- 379.23910 198.5
[M+CH3COO]- 393.25475 192.6
[M+Na-2H]- 355.21557 187.4
[M]+ 334.24035 181.6
[M]- 334.24145 181.6
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.