CID 3057667

1,2-dihydro-n,6-dimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6h)-ethanamine 2hbr

Structural Information

Molecular Formula
C19H23N3
SMILES
CC1C2=CC=CC3=C2N(CC3)C4=CC=CC=C4N1CCNC
InChI
InChI=1S/C19H23N3/c1-14-16-7-5-6-15-10-12-22(19(15)16)18-9-4-3-8-17(18)21(14)13-11-20-2/h3-9,14,20H,10-13H2,1-2H3
InChIKey
PBNQDWBXTAXXTJ-UHFFFAOYSA-N
Compound name
N-methyl-2-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

293.1892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.196476 172.2
[M+Na]+ 316.178418 179.7
[M-H]- 292.181924 176.6
[M+NH4]+ 311.223023 189.5
[M+K]+ 332.152358 176.5
[M+H-H2O]+ 276.186460 164.5
[M+HCOO]- 338.187401 188.9
[M+CH3COO]- 352.203051 182.4
[M+Na-2H]- 314.163866 176.8
[M]+ 293.18865142 170.6
[M]- 293.18974858 170.6
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

patents stripe