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]+ 257.176076 159.1
[M+Na]+ 279.158018 166.5
[M-H]- 255.161524 161.2
[M+NH4]+ 274.202623 177.3
[M+K]+ 295.131958 162.0
[M+H-H2O]+ 239.166060 150.7
[M+HCOO]- 301.167001 180.7
[M+CH3COO]- 315.182651 170.5
[M+Na-2H]- 277.143466 166.6
[M]+ 256.16825142 161.1
[M]- 256.16934858 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