CID 162784

Nomifensine m1

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H18N2O/c1-18-9-14(11-5-7-12(19)8-6-11)13-3-2-4-16(17)15(13)10-18/h2-8,14,19H,9-10,17H2,1H3
InChIKey
IDYRXWOMWZHWEO-UHFFFAOYSA-N
Compound name
4-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

254.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.5
[M+Na]+ 277.13112 173.9
[M+NH4]+ 272.17572 168.6
[M+K]+ 293.10506 165.9
[M-H]- 253.13462 164.8
[M+Na-2H]- 275.11657 167.1
[M]+ 254.14135 163.1
[M]- 254.14245 163.1
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