CID 11469698

3-(1h-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C12H13N3
SMILES
C1C(NCC2=CC=CC=C21)C3=NC=CN3
InChI
InChI=1S/C12H13N3/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11,15H,7-8H2,(H,13,14)
InChIKey
LVXGKCQDNDGCPP-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.0
[M+Na]+ 222.10017 151.1
[M-H]- 198.10367 144.5
[M+NH4]+ 217.14477 160.2
[M+K]+ 238.07411 145.1
[M+H-H2O]+ 182.10821 135.3
[M+HCOO]- 244.10915 159.9
[M+CH3COO]- 258.12480 154.7
[M+Na-2H]- 220.08562 149.7
[M]+ 199.11040 137.4
[M]- 199.11150 137.4
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