CID 42401

6,7-dihydro-n-methyl-indolo(1,7-ab)(1)benzazepine-1-ethanamine hydrochloride

Structural Information

Molecular Formula
C19H20N2
SMILES
CNCCC1=CC2=C3N1C4=CC=CC=C4CCC3=CC=C2
InChI
InChI=1S/C19H20N2/c1-20-12-11-17-13-16-7-4-6-15-10-9-14-5-2-3-8-18(14)21(17)19(15)16/h2-8,13,20H,9-12H2,1H3
InChIKey
ZNBDNWAPHFUHFO-UHFFFAOYSA-N
Compound name
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)-N-methylethanamine
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 166.1
[M+Na]+ 299.151878 174.6
[M-H]- 275.155384 172.4
[M+NH4]+ 294.196483 185.4
[M+K]+ 315.125818 171.4
[M+H-H2O]+ 259.159920 160.2
[M+HCOO]- 321.160861 186.9
[M+CH3COO]- 335.176511 177.8
[M+Na-2H]- 297.137326 173.3
[M]+ 276.16211142 166.4
[M]- 276.16320858 166.4
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

patents stripe