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

1
Patents

213.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 149.0
[M+Na]+ 236.11582 156.9
[M-H]- 212.11932 151.0
[M+NH4]+ 231.16042 165.6
[M+K]+ 252.08976 151.6
[M+H-H2O]+ 196.12386 140.0
[M+HCOO]- 258.12480 166.0
[M+CH3COO]- 272.14045 160.2
[M+Na-2H]- 234.10127 153.7
[M]+ 213.12605 144.9
[M]- 213.12715 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