CID 71310521

1217461-20-5

Structural Information

Molecular Formula
C22H25NO3
SMILES
C1CC[C@@H]([C@H](C1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C22H25NO3/c24-21-12-6-1-7-15(21)13-23-22(25)26-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-21,24H,1,6-7,12-14H2,(H,23,25)/t15-,21+/m1/s1
InChIKey
DLDUSAROVXDNNQ-VFNWGFHPSA-N
Compound name
9H-fluoren-9-ylmethyl N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 182.7
[M+Na]+ 374.172658 186.4
[M-H]- 350.176164 188.6
[M+NH4]+ 369.217263 198.0
[M+K]+ 390.146598 181.0
[M+H-H2O]+ 334.180700 174.7
[M+HCOO]- 396.181641 199.4
[M+CH3COO]- 410.197291 191.6
[M+Na-2H]- 372.158106 183.9
[M]+ 351.18289142 179.8
[M]- 351.18398858 179.8
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.