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]+ 358.216536 188.9
[M+Na]+ 380.198478 194.4
[M-H]- 356.201984 199.1
[M+NH4]+ 375.243083 203.8
[M+K]+ 396.172418 188.2
[M+H-H2O]+ 340.206520 180.0
[M+HCOO]- 402.207461 209.5
[M+CH3COO]- 416.223111 199.0
[M+Na-2H]- 378.183926 191.8
[M]+ 357.20871142 188.5
[M]- 357.20980858 188.5
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