CID 3041109

Pyrrolo(4,3,2-de)isoquinoline-1(3h)-propanamine, 4,5-dihydro-n,n,4-trimethyl-, dihydrobromide

Structural Information

Molecular Formula
C16H23N3
SMILES
CN1CC2=C3C(=CN(C3=CC=C2)CCCN(C)C)C1
InChI
InChI=1S/C16H23N3/c1-17(2)8-5-9-19-12-14-11-18(3)10-13-6-4-7-15(19)16(13)14/h4,6-7,12H,5,8-11H2,1-3H3
InChIKey
VHJROIHHUFXRCA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.1892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 162.8
[M+Na]+ 280.178418 170.9
[M-H]- 256.181924 166.1
[M+NH4]+ 275.223023 182.1
[M+K]+ 296.152358 167.1
[M+H-H2O]+ 240.186460 154.4
[M+HCOO]- 302.187401 182.9
[M+CH3COO]- 316.203051 174.6
[M+Na-2H]- 278.163866 167.5
[M]+ 257.18865142 166.6
[M]- 257.18974858 166.6
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