CID 9843562

Sb-221420-a

Structural Information

Molecular Formula
C25H27NO
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O[C@@H]3[C@@H](CC4=CC=CC=C34)NC
InChI
InChI=1S/C25H27NO/c1-25(2,19-10-5-4-6-11-19)20-13-15-21(16-14-20)27-24-22-12-8-7-9-18(22)17-23(24)26-3/h4-16,23-24,26H,17H2,1-3H3/t23-,24+/m1/s1
InChIKey
NARYXLYWFXYZGG-RPWUZVMVSA-N
Compound name
(1S,2R)-N-methyl-1-[4-(2-phenylpropan-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

357.20926 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 190.6
[M+Na]+ 380.19848 205.3
[M+NH4]+ 375.24308 200.3
[M+K]+ 396.17242 197.2
[M-H]- 356.20198 198.6
[M+Na-2H]- 378.18393 200.6
[M]+ 357.20871 195.3
[M]- 357.20981 195.3
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