CID 3041099

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

Structural Information

Molecular Formula
C12H14N2
SMILES
CCN1C=C2CNCC3=C2C1=CC=C3
InChI
InChI=1S/C12H14N2/c1-2-14-8-10-7-13-6-9-4-3-5-11(14)12(9)10/h3-5,8,13H,2,6-7H2,1H3
InChIKey
AFPUOTKEEUBHOR-UHFFFAOYSA-N
Compound name
2-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

1
Patents

186.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 139.5
[M+Na]+ 209.10491 153.7
[M+NH4]+ 204.14951 149.5
[M+K]+ 225.07885 147.4
[M-H]- 185.10841 141.5
[M+Na-2H]- 207.09036 145.1
[M]+ 186.11514 142.1
[M]- 186.11624 142.1
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