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

96
Patents

396.2049 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 197.5
[M+Na]+ 419.194118 200.0
[M-H]- 395.197624 201.6
[M+NH4]+ 414.238723 211.2
[M+K]+ 435.168058 197.4
[M+H-H2O]+ 379.202160 189.5
[M+HCOO]- 441.203101 216.6
[M+CH3COO]- 455.218751 229.4
[M+Na-2H]- 417.179566 197.1
[M]+ 396.20435142 201.4
[M]- 396.20544858 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