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]+ 294.19648 172.2
[M+Na]+ 316.17842 179.7
[M-H]- 292.18192 176.6
[M+NH4]+ 311.22302 189.5
[M+K]+ 332.15236 176.5
[M+H-H2O]+ 276.18646 164.5
[M+HCOO]- 338.18740 188.9
[M+CH3COO]- 352.20305 182.4
[M+Na-2H]- 314.16387 176.8
[M]+ 293.18865 170.6
[M]- 293.18975 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