CID 32408

Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-phenyl-, hydriodide

Structural Information

Molecular Formula
C16H17N
SMILES
CN1CCC2=C(C1)C=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-17-11-10-16-14(12-17)8-5-9-15(16)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKey
GRTWSHLGXBMSFT-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 150.8
[M+Na]+ 246.12532 157.9
[M-H]- 222.12882 156.5
[M+NH4]+ 241.16992 168.6
[M+K]+ 262.09926 152.9
[M+H-H2O]+ 206.13336 142.3
[M+HCOO]- 268.13430 170.1
[M+CH3COO]- 282.14995 162.8
[M+Na-2H]- 244.11077 157.5
[M]+ 223.13555 147.6
[M]- 223.13665 147.6
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