CID 64460829

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

Structural Information

Molecular Formula
C13H15N3
SMILES
CN1C=C(C=N1)C2CNCC3=CC=CC=C23
InChI
InChI=1S/C13H15N3/c1-16-9-11(7-15-16)13-8-14-6-10-4-2-3-5-12(10)13/h2-5,7,9,13-14H,6,8H2,1H3
InChIKey
RUWKXGUCKGZSOA-UHFFFAOYSA-N
Compound name
4-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 149.0
[M+Na]+ 236.115818 156.9
[M-H]- 212.119324 151.0
[M+NH4]+ 231.160423 165.6
[M+K]+ 252.089758 151.6
[M+H-H2O]+ 196.123860 140.0
[M+HCOO]- 258.124801 166.0
[M+CH3COO]- 272.140451 160.2
[M+Na-2H]- 234.101266 153.7
[M]+ 213.12605142 144.9
[M]- 213.12714858 144.9
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