CID 2812597

Maybridge3_002231

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CN(CC2=CC=CC=C21)CC3=C(NN=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c1-2-7-16(8-3-1)19-18(12-20-21-19)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,12H,10-11,13-14H2,(H,20,21)
InChIKey
WKSSKRDWXMSGDH-UHFFFAOYSA-N
Compound name
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

289.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.165176 169.0
[M+Na]+ 312.147118 175.4
[M-H]- 288.150624 173.5
[M+NH4]+ 307.191723 181.7
[M+K]+ 328.121058 167.8
[M+H-H2O]+ 272.155160 158.0
[M+HCOO]- 334.156101 185.1
[M+CH3COO]- 348.171751 178.4
[M+Na-2H]- 310.132566 172.7
[M]+ 289.15735142 164.1
[M]- 289.15844858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.