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]+ 277.16994 166.1
[M+Na]+ 299.15188 174.6
[M-H]- 275.15538 172.4
[M+NH4]+ 294.19648 185.4
[M+K]+ 315.12582 171.4
[M+H-H2O]+ 259.15992 160.2
[M+HCOO]- 321.16086 186.9
[M+CH3COO]- 335.17651 177.8
[M+Na-2H]- 297.13733 173.3
[M]+ 276.16211 166.4
[M]- 276.16321 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