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

107
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 196.6
[M+Na]+ 419.19412 204.3
[M+NH4]+ 414.23872 202.3
[M+K]+ 435.16806 200.7
[M-H]- 395.19762 198.0
[M+Na-2H]- 417.17957 198.3
[M]+ 396.20435 197.6
[M]- 396.20545 197.6
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