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

7
Patents

186.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.3
[M+Na]+ 209.10491 149.8
[M-H]- 185.10841 141.2
[M+NH4]+ 204.14951 161.3
[M+K]+ 225.07885 144.8
[M+H-H2O]+ 169.11295 133.3
[M+HCOO]- 231.11389 159.0
[M+CH3COO]- 245.12954 153.0
[M+Na-2H]- 207.09036 147.8
[M]+ 186.11514 140.1
[M]- 186.11624 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