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]+ 352.19072 182.7
[M+Na]+ 374.17266 186.4
[M-H]- 350.17616 188.6
[M+NH4]+ 369.21726 198.0
[M+K]+ 390.14660 181.0
[M+H-H2O]+ 334.18070 174.7
[M+HCOO]- 396.18164 199.4
[M+CH3COO]- 410.19729 191.6
[M+Na-2H]- 372.15811 183.9
[M]+ 351.18289 179.8
[M]- 351.18399 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.