CID 32400

Isoquinoline, 1,2,3,4-tetrahydro-7-phenyl-, hydrochloride

Structural Information

Molecular Formula
C15H15N
SMILES
C1CNCC2=C1C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H15N/c1-2-4-12(5-3-1)14-7-6-13-8-9-16-11-15(13)10-14/h1-7,10,16H,8-9,11H2
InChIKey
UQIVTFOULAOFAA-UHFFFAOYSA-N
Compound name
7-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

209.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 146.2
[M+Na]+ 232.109668 152.3
[M-H]- 208.113174 150.2
[M+NH4]+ 227.154273 163.5
[M+K]+ 248.083608 146.6
[M+H-H2O]+ 192.117710 138.1
[M+HCOO]- 254.118651 164.3
[M+CH3COO]- 268.134301 157.5
[M+Na-2H]- 230.095116 153.8
[M]+ 209.11990142 140.4
[M]- 209.12099858 140.4
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

patents stripe