CID 3051316

67383-64-6

Structural Information

Molecular Formula
C22H27NO
SMILES
CN(CC1=CC=CC=C1)CC(C2=C3CCCC3=CC4=C2CCC4)O
InChI
InChI=1S/C22H27NO/c1-23(14-16-7-3-2-4-8-16)15-21(24)22-19-11-5-9-17(19)13-18-10-6-12-20(18)22/h2-4,7-8,13,21,24H,5-6,9-12,14-15H2,1H3
InChIKey
VMTOCVBUQSHCMT-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 180.2
[M+Na]+ 344.198478 183.9
[M-H]- 320.201984 187.8
[M+NH4]+ 339.243083 199.2
[M+K]+ 360.172418 179.0
[M+H-H2O]+ 304.206520 173.0
[M+HCOO]- 366.207461 199.2
[M+CH3COO]- 380.223111 190.2
[M+Na-2H]- 342.183926 179.0
[M]+ 321.20871142 178.5
[M]- 321.20980858 178.5
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

No patent data available for this compound.