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]+ 256.205976 162.9
[M+Na]+ 278.187918 166.8
[M-H]- 254.191424 167.3
[M+NH4]+ 273.232523 179.1
[M+K]+ 294.161858 161.8
[M+H-H2O]+ 238.195960 153.8
[M+HCOO]- 300.196901 178.5
[M+CH3COO]- 314.212551 172.7
[M+Na-2H]- 276.173366 166.3
[M]+ 255.19815142 157.3
[M]- 255.19924858 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.