CID 149308

104500-13-2

Structural Information

Molecular Formula
C22H23NO2
SMILES
CC(CO)(CO)NCC1=C2C(=CC3=CC=CC=C31)CC4=CC=CC=C42
InChI
InChI=1S/C22H23NO2/c1-22(13-24,14-25)23-12-20-18-8-4-2-6-15(18)10-17-11-16-7-3-5-9-19(16)21(17)20/h2-10,23-25H,11-14H2,1H3
InChIKey
WLJWLYCWIGIEKT-UHFFFAOYSA-N
Compound name
2-(11H-benzo[b]fluoren-5-ylmethylamino)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

333.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 179.3
[M+Na]+ 356.16210 186.1
[M-H]- 332.16560 182.8
[M+NH4]+ 351.20670 196.4
[M+K]+ 372.13604 179.3
[M+H-H2O]+ 316.17014 172.9
[M+HCOO]- 378.17108 196.2
[M+CH3COO]- 392.18673 189.1
[M+Na-2H]- 354.14755 185.6
[M]+ 333.17233 179.9
[M]- 333.17343 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe