CID 38948

41712-62-3

Structural Information

Molecular Formula
C18H25N
SMILES
CN1CCC2=C(C1CCC3=CC=CC=C3)CCCC2
InChI
InChI=1S/C18H25N/c1-19-14-13-16-9-5-6-10-17(16)18(19)12-11-15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-14H2,1H3
InChIKey
KDCYOWUMMCQWCJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-phenylethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 162.9
[M+Na]+ 278.18792 166.8
[M-H]- 254.19142 167.3
[M+NH4]+ 273.23252 179.1
[M+K]+ 294.16186 161.8
[M+H-H2O]+ 238.19596 153.8
[M+HCOO]- 300.19690 178.5
[M+CH3COO]- 314.21255 172.7
[M+Na-2H]- 276.17337 166.3
[M]+ 255.19815 157.3
[M]- 255.19925 157.3
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.