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 188.9
[M+Na]+ 380.19848 194.4
[M-H]- 356.20198 199.1
[M+NH4]+ 375.24308 203.8
[M+K]+ 396.17242 188.2
[M+H-H2O]+ 340.20652 180.0
[M+HCOO]- 402.20746 209.5
[M+CH3COO]- 416.22311 199.0
[M+Na-2H]- 378.18393 191.8
[M]+ 357.20871 188.5
[M]- 357.20981 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