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]+ 258.19648 162.8
[M+Na]+ 280.17842 170.9
[M-H]- 256.18192 166.1
[M+NH4]+ 275.22302 182.1
[M+K]+ 296.15236 167.1
[M+H-H2O]+ 240.18646 154.4
[M+HCOO]- 302.18740 182.9
[M+CH3COO]- 316.20305 174.6
[M+Na-2H]- 278.16387 167.5
[M]+ 257.18865 166.6
[M]- 257.18975 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