CID 32411

Brn 1572681

Structural Information

Molecular Formula
C16H15N
SMILES
CC1=NCCC2=C1C(=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-12-16-14(10-11-17-12)8-5-9-15(16)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKey
RCJSMFJWNSUQGP-UHFFFAOYSA-N
Compound name
1-methyl-8-phenyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 149.5
[M+Na]+ 244.10967 157.6
[M-H]- 220.11317 155.6
[M+NH4]+ 239.15427 167.4
[M+K]+ 260.08361 152.4
[M+H-H2O]+ 204.11771 141.1
[M+HCOO]- 266.11865 170.3
[M+CH3COO]- 280.13430 162.0
[M+Na-2H]- 242.09512 157.3
[M]+ 221.11990 147.7
[M]- 221.12100 147.7
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.