CID 54594300

4-(1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
C1C(C2=CC=CC=C2CN1)N3C=CC=N3
InChI
InChI=1S/C12H13N3/c1-2-5-11-10(4-1)8-13-9-12(11)15-7-3-6-14-15/h1-7,12-13H,8-9H2
InChIKey
PBSOISQSZIYBJI-UHFFFAOYSA-N
Compound name
4-pyrazol-1-yl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.8
[M+Na]+ 222.10017 151.2
[M-H]- 198.10367 145.6
[M+NH4]+ 217.14477 160.7
[M+K]+ 238.07411 146.2
[M+H-H2O]+ 182.10821 134.7
[M+HCOO]- 244.10915 161.1
[M+CH3COO]- 258.12480 155.1
[M+Na-2H]- 220.08562 149.9
[M]+ 199.11040 139.0
[M]- 199.11150 139.0
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

No patent data available for this compound.