CID 104941316

En300-1286991

Structural Information

Molecular Formula
C23H27NO4
SMILES
CCC(CC)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO4/c1-3-15(4-2)21(13-22(25)26)24-23(27)28-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-21H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
BEGJXWWAYQYVLQ-NRFANRHFSA-N
Compound name
(3S)-4-ethyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 195.0
[M+Na]+ 404.18322 198.1
[M-H]- 380.18672 197.9
[M+NH4]+ 399.22782 209.0
[M+K]+ 420.15716 194.4
[M+H-H2O]+ 364.19126 187.7
[M+HCOO]- 426.19220 211.6
[M+CH3COO]- 440.20785 221.9
[M+Na-2H]- 402.16867 193.4
[M]+ 381.19345 197.7
[M]- 381.19455 197.7
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.