CID 32398

24464-12-8

Structural Information

Molecular Formula
C16H17N
SMILES
CC1C2=C(CCN1)C=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-12-16-8-7-14(11-15(16)9-10-17-12)13-5-3-2-4-6-13/h2-8,11-12,17H,9-10H2,1H3
InChIKey
SQMOJWIMLXKWTG-UHFFFAOYSA-N
Compound name
1-methyl-6-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]+ 224.143376 151.0
[M+Na]+ 246.125318 157.7
[M-H]- 222.128824 155.3
[M+NH4]+ 241.169923 168.1
[M+K]+ 262.099258 151.8
[M+H-H2O]+ 206.133360 142.9
[M+HCOO]- 268.134301 168.9
[M+CH3COO]- 282.149951 162.3
[M+Na-2H]- 244.110766 157.3
[M]+ 223.13555142 146.0
[M]- 223.13664858 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.