CID 3048807

2,3-dihydro-alpha-(1-((4-(4-chlorophenyl)butyl)amino)ethyl)-1h-indene-5-methanol

Structural Information

Molecular Formula
C22H28ClNO
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCCCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H28ClNO/c1-16(22(25)20-11-10-18-6-4-7-19(18)15-20)24-14-3-2-5-17-8-12-21(23)13-9-17/h8-13,15-16,22,24-25H,2-7,14H2,1H3
InChIKey
WVMWQCXQEYEHCF-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.18594 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19322 189.9
[M+Na]+ 380.17516 194.0
[M-H]- 356.17866 194.8
[M+NH4]+ 375.21976 205.1
[M+K]+ 396.14910 186.7
[M+H-H2O]+ 340.18320 182.7
[M+HCOO]- 402.18414 203.8
[M+CH3COO]- 416.19979 215.6
[M+Na-2H]- 378.16061 188.7
[M]+ 357.18539 190.6
[M]- 357.18649 190.6
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

No patent data available for this compound.