CID 32392

1-methyl-7-phenylisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H13N
SMILES
CC1=NC=CC2=C1C=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N/c1-12-16-11-15(13-5-3-2-4-6-13)8-7-14(16)9-10-17-12/h2-11H,1H3
InChIKey
DHORJVLUEQYKMC-UHFFFAOYSA-N
Compound name
1-methyl-7-phenylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.1048 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 148.3
[M+Na]+ 242.09402 157.5
[M-H]- 218.09752 154.8
[M+NH4]+ 237.13862 166.4
[M+K]+ 258.06796 152.0
[M+H-H2O]+ 202.10206 139.9
[M+HCOO]- 264.10300 170.5
[M+CH3COO]- 278.11865 161.4
[M+Na-2H]- 240.07947 157.1
[M]+ 219.10425 148.0
[M]- 219.10535 148.0
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

patents stripe