CID 3057661

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

Structural Information

Molecular Formula
C20H25N3
SMILES
CC1C2=CC=CC3=C2N(CC3)C4=CC=CC=C4N1CCN(C)C
InChI
InChI=1S/C20H25N3/c1-15-17-8-6-7-16-11-12-23(20(16)17)19-10-5-4-9-18(19)22(15)14-13-21(2)3/h4-10,15H,11-14H2,1-3H3
InChIKey
WLXSHEAWFFYCDT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

307.20483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 176.4
[M+Na]+ 330.19405 183.5
[M-H]- 306.19755 182.0
[M+NH4]+ 325.23865 193.8
[M+K]+ 346.16799 181.4
[M+H-H2O]+ 290.20209 168.5
[M+HCOO]- 352.20303 193.3
[M+CH3COO]- 366.21868 186.7
[M+Na-2H]- 328.17950 179.8
[M]+ 307.20428 176.2
[M]- 307.20538 176.2
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