CID 7018214

378802-00-7

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CN(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H28N2O4/c1-25(2)14-8-7-13-21(22(26)27)24-23(28)29-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20-21H,7-8,13-15H2,1-2H3,(H,24,28)(H,26,27)/t21-/m0/s1
InChIKey
DCFIJZOUZZCQOO-NRFANRHFSA-N
Compound name
(2S)-6-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

396.2049 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 197.5
[M+Na]+ 419.19412 200.0
[M-H]- 395.19762 201.6
[M+NH4]+ 414.23872 211.2
[M+K]+ 435.16806 197.4
[M+H-H2O]+ 379.20216 189.5
[M+HCOO]- 441.20310 216.6
[M+CH3COO]- 455.21875 229.4
[M+Na-2H]- 417.17957 197.1
[M]+ 396.20435 201.4
[M]- 396.20545 201.4
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

patents stripe