CID 6857690

(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1=C(C2=C(C=C1)[C@H](CN(C2)C(=O)N(C)C)C3=CC(=CC=C3)O)C
InChI
InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1
InChIKey
HPVCRUIDFODATB-LJQANCHMSA-N
Compound name
(4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

324.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.1
[M+Na]+ 347.17300 185.7
[M-H]- 323.17650 185.3
[M+NH4]+ 342.21760 193.0
[M+K]+ 363.14694 181.8
[M+H-H2O]+ 307.18104 170.2
[M+HCOO]- 369.18198 196.5
[M+CH3COO]- 383.19763 215.7
[M+Na-2H]- 345.15845 179.7
[M]+ 324.18323 178.6
[M]- 324.18433 178.6
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