CID 39073

6,7-dihydro-n,n-dimethyl-indolo(1,7-ab)(1)benzazepine-2-methanamine hydrochloride

Structural Information

Molecular Formula
C19H20N2
SMILES
CN(C)CC1=CN2C3=CC=CC=C3CCC4=C2C1=CC=C4
InChI
InChI=1S/C19H20N2/c1-20(2)12-16-13-21-18-9-4-3-6-14(18)10-11-15-7-5-8-17(16)19(15)21/h3-9,13H,10-12H2,1-2H3
InChIKey
HJJILGGFZKFRDE-UHFFFAOYSA-N
Compound name
1-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-15-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 166.2
[M+Na]+ 299.151878 174.8
[M-H]- 275.155384 173.8
[M+NH4]+ 294.196483 186.0
[M+K]+ 315.125818 172.8
[M+H-H2O]+ 259.159920 160.2
[M+HCOO]- 321.160861 187.4
[M+CH3COO]- 335.176511 178.4
[M+Na-2H]- 297.137326 172.7
[M]+ 276.16211142 167.6
[M]- 276.16320858 167.6
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.