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]+ 277.16994 166.2
[M+Na]+ 299.15188 174.8
[M-H]- 275.15538 173.8
[M+NH4]+ 294.19648 186.0
[M+K]+ 315.12582 172.8
[M+H-H2O]+ 259.15992 160.2
[M+HCOO]- 321.16086 187.4
[M+CH3COO]- 335.17651 178.4
[M+Na-2H]- 297.13733 172.7
[M]+ 276.16211 167.6
[M]- 276.16321 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.