CID 42404

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

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1=C(N2C3=CC=CC=C3CCC4=C2C1=CC=C4)CCNC
InChI
InChI=1S/C20H22N2/c1-14-17-8-5-7-16-11-10-15-6-3-4-9-19(15)22(20(16)17)18(14)12-13-21-2/h3-9,21H,10-13H2,1-2H3
InChIKey
DHDFPIOVPBJCHJ-UHFFFAOYSA-N
Compound name
N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.17828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 171.3
[M+Na]+ 313.16750 180.2
[M-H]- 289.17100 177.8
[M+NH4]+ 308.21210 190.3
[M+K]+ 329.14144 176.9
[M+H-H2O]+ 273.17554 165.4
[M+HCOO]- 335.17648 191.7
[M+CH3COO]- 349.19213 182.9
[M+Na-2H]- 311.15295 177.3
[M]+ 290.17773 172.3
[M]- 290.17883 172.3
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