CID 32402

24464-14-0

Structural Information

Molecular Formula
C16H17N
SMILES
CC1C2=C(CCN1)C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-12-16-11-15(13-5-3-2-4-6-13)8-7-14(16)9-10-17-12/h2-8,11-12,17H,9-10H2,1H3
InChIKey
KABXWRKELYKSLZ-UHFFFAOYSA-N
Compound name
1-methyl-7-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 151.0
[M+Na]+ 246.12532 157.7
[M-H]- 222.12882 155.3
[M+NH4]+ 241.16992 168.1
[M+K]+ 262.09926 151.8
[M+H-H2O]+ 206.13336 142.9
[M+HCOO]- 268.13430 168.9
[M+CH3COO]- 282.14995 162.3
[M+Na-2H]- 244.11077 157.3
[M]+ 223.13555 146.0
[M]- 223.13665 146.0
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

No patent data available for this compound.