CID 165501349

2137086-93-0

Structural Information

Molecular Formula
C23H22N2O2
SMILES
C[C@@H](C1=CC=C(C=C1)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H22N2O2/c1-15(16-10-12-17(24)13-11-16)25-23(26)27-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,15,22H,14,24H2,1H3,(H,25,26)/t15-/m0/s1
InChIKey
UHYDFDZFSIZYSL-HNNXBMFYSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(1S)-1-(4-aminophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16812 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.175396 185.7
[M+Na]+ 381.157338 191.4
[M-H]- 357.160844 193.6
[M+NH4]+ 376.201943 201.1
[M+K]+ 397.131278 185.9
[M+H-H2O]+ 341.165380 177.3
[M+HCOO]- 403.166321 207.2
[M+CH3COO]- 417.181971 195.7
[M+Na-2H]- 379.142786 188.1
[M]+ 358.16757142 185.7
[M]- 358.16866858 185.7
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.