CID 32867

25297-77-2

Structural Information

Molecular Formula
C17H19N
SMILES
CC1C2=C(CCN1C)C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-13-17-12-16(14-6-4-3-5-7-14)9-8-15(17)10-11-18(13)2/h3-9,12-13H,10-11H2,1-2H3
InChIKey
UGDDOPGTRGIGQQ-UHFFFAOYSA-N
Compound name
1,2-dimethyl-7-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15903 155.5
[M+Na]+ 260.14097 163.1
[M-H]- 236.14447 161.4
[M+NH4]+ 255.18557 173.1
[M+K]+ 276.11491 157.9
[M+H-H2O]+ 220.14901 147.0
[M+HCOO]- 282.14995 174.5
[M+CH3COO]- 296.16560 167.4
[M+Na-2H]- 258.12642 160.9
[M]+ 237.15120 153.0
[M]- 237.15230 153.0
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

No patent data available for this compound.