CID 3041111

1,3-propanediamine, n'-(1,3-dihydropyrrolo(4,3,2-de)isoquinolin-5-yl)-n,n-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C15H20N4
SMILES
CN(C)CCCNC1=NCC2=CNC3=CC=CC1=C23
InChI
InChI=1S/C15H20N4/c1-19(2)8-4-7-16-15-12-5-3-6-13-14(12)11(9-17-13)10-18-15/h3,5-6,9,17H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKey
VEGYOQZCNBTGEW-UHFFFAOYSA-N
Compound name
N-(2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaen-7-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.1688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 159.1
[M+Na]+ 279.15802 166.5
[M-H]- 255.16152 161.2
[M+NH4]+ 274.20262 177.3
[M+K]+ 295.13196 162.0
[M+H-H2O]+ 239.16606 150.7
[M+HCOO]- 301.16700 180.7
[M+CH3COO]- 315.18265 170.5
[M+Na-2H]- 277.14347 166.6
[M]+ 256.16825 161.1
[M]- 256.16935 161.1
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