CID 3051316

Vufb-10602

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]+ 322.21654 180.2
[M+Na]+ 344.19848 183.9
[M-H]- 320.20198 187.8
[M+NH4]+ 339.24308 199.2
[M+K]+ 360.17242 179.0
[M+H-H2O]+ 304.20652 173.0
[M+HCOO]- 366.20746 199.2
[M+CH3COO]- 380.22311 190.2
[M+Na-2H]- 342.18393 179.0
[M]+ 321.20871 178.5
[M]- 321.20981 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.