CID 372579

Nsc647939

Structural Information

Molecular Formula
C26H29NO2
SMILES
COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C4=CC=CC=C24)OC
InChI
InChI=1S/C26H29NO2/c1-28-25-14-13-19(18-26(25)29-2)15-17-27-16-7-12-24-22-10-5-3-8-20(22)21-9-4-6-11-23(21)24/h3-6,8-11,13-14,18,24,27H,7,12,15-17H2,1-2H3
InChIKey
YSRBMOPBDXEQTE-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(9H-fluoren-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21982 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 197.0
[M+Na]+ 410.20904 203.3
[M-H]- 386.21254 204.9
[M+NH4]+ 405.25364 212.1
[M+K]+ 426.18298 196.7
[M+H-H2O]+ 370.21708 187.7
[M+HCOO]- 432.21802 218.7
[M+CH3COO]- 446.23367 206.8
[M+Na-2H]- 408.19449 199.3
[M]+ 387.21927 201.8
[M]- 387.22037 201.8
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.