CID 50469

69381-54-0

Structural Information

Molecular Formula
C23H23N
SMILES
CC1CC2=C(CN1CC3=CC=CC=C3)C(=CC=C2)C4=CC=CC=C4
InChI
InChI=1S/C23H23N/c1-18-15-21-13-8-14-22(20-11-6-3-7-12-20)23(21)17-24(18)16-19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3
InChIKey
IKVUBRLFMDLBAM-UHFFFAOYSA-N
Compound name
2-benzyl-3-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.18304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19032 177.6
[M+Na]+ 336.17226 183.6
[M-H]- 312.17576 185.7
[M+NH4]+ 331.21686 191.1
[M+K]+ 352.14620 176.3
[M+H-H2O]+ 296.18030 166.7
[M+HCOO]- 358.18124 195.5
[M+CH3COO]- 372.19689 187.4
[M+Na-2H]- 334.15771 181.8
[M]+ 313.18249 174.1
[M]- 313.18359 174.1
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