CID 130853

136226-78-3

Structural Information

Molecular Formula
C16H17N
SMILES
CC1(C2=CC=CC=C2CCN1)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-16(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-17-16/h2-10,17H,11-12H2,1H3
InChIKey
TUTBQGAMVCUYQM-UHFFFAOYSA-N
Compound name
1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

14
Patents

223.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.143376 152.2
[M+Na]+ 246.125318 159.0
[M-H]- 222.128824 156.6
[M+NH4]+ 241.169923 171.1
[M+K]+ 262.099258 153.3
[M+H-H2O]+ 206.133360 144.0
[M+HCOO]- 268.134301 170.1
[M+CH3COO]- 282.149951 163.5
[M+Na-2H]- 244.110766 160.0
[M]+ 223.13555142 147.1
[M]- 223.13664858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe