CID 3041105

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

Structural Information

Molecular Formula
C15H21N3
SMILES
CN(C)CCCN1CC2=C3C(=CNC3=CC=C2)C1
InChI
InChI=1S/C15H21N3/c1-17(2)7-4-8-18-10-12-5-3-6-14-15(12)13(11-18)9-16-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3
InChIKey
SCARELYPKPYURH-UHFFFAOYSA-N
Compound name
3-(2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 156.4
[M+Na]+ 266.16277 168.8
[M+NH4]+ 261.20737 165.6
[M+K]+ 282.13671 162.8
[M-H]- 242.16627 158.8
[M+Na-2H]- 264.14822 161.2
[M]+ 243.17300 158.8
[M]- 243.17410 158.8
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