CID 3041103

Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-, monohydrochloride

Structural Information

Molecular Formula
C12H14N2
SMILES
CCN1CC2=C3C(=CNC3=CC=C2)C1
InChI
InChI=1S/C12H14N2/c1-2-14-7-9-4-3-5-11-12(9)10(8-14)6-13-11/h3-6,13H,2,7-8H2,1H3
InChIKey
AQETXVKRXPEFAT-UHFFFAOYSA-N
Compound name
6-ethyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.3
[M+Na]+ 209.104908 149.8
[M-H]- 185.108414 141.2
[M+NH4]+ 204.149513 161.3
[M+K]+ 225.078848 144.8
[M+H-H2O]+ 169.112950 133.3
[M+HCOO]- 231.113891 159.0
[M+CH3COO]- 245.129541 153.0
[M+Na-2H]- 207.090356 147.8
[M]+ 186.11514142 140.1
[M]- 186.11623858 140.1
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