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]+ 294.19648 171.2
[M+Na]+ 316.17842 177.9
[M-H]- 292.18192 175.3
[M+NH4]+ 311.22302 188.2
[M+K]+ 332.15236 174.6
[M+H-H2O]+ 276.18646 163.3
[M+HCOO]- 338.18740 188.0
[M+CH3COO]- 352.20305 181.1
[M+Na-2H]- 314.16387 176.5
[M]+ 293.18865 169.2
[M]- 293.18975 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