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]+ 335.248176 183.7
[M+Na]+ 357.230118 188.4
[M-H]- 333.233624 189.3
[M+NH4]+ 352.274723 199.3
[M+K]+ 373.204058 186.5
[M+H-H2O]+ 317.238160 176.1
[M+HCOO]- 379.239101 198.5
[M+CH3COO]- 393.254751 192.6
[M+Na-2H]- 355.215566 187.4
[M]+ 334.24035142 181.6
[M]- 334.24144858 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.