CID 3057673

Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6h)-propanamine, 1,2-dihydro-n-methyl-, dihydrobromide

Structural Information

Molecular Formula
C19H23N3
SMILES
CNCCCN1CC2=CC=CC3=C2N(CC3)C4=CC=CC=C41
InChI
InChI=1S/C19H23N3/c1-20-11-5-12-21-14-16-7-4-6-15-10-13-22(19(15)16)18-9-3-2-8-17(18)21/h2-4,6-9,20H,5,10-14H2,1H3
InChIKey
DZLNCIZNGRUVQF-UHFFFAOYSA-N
Compound name
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
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 171.2
[M+Na]+ 316.178418 177.9
[M-H]- 292.181924 175.3
[M+NH4]+ 311.223023 188.2
[M+K]+ 332.152358 174.6
[M+H-H2O]+ 276.186460 163.3
[M+HCOO]- 338.187401 188.0
[M+CH3COO]- 352.203051 181.1
[M+Na-2H]- 314.163866 176.5
[M]+ 293.18865142 169.2
[M]- 293.18974858 169.2
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