CID 135742623

Dde-lys(fmoc)-oh

Structural Information

Molecular Formula
C31H36N2O6
SMILES
CC(=N[C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)33-25(29(36)37)14-8-9-15-32-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,32,38)(H,36,37)/t25-/m0/s1
InChIKey
HJGADLBSAXYSSH-VWLOTQADSA-N
Compound name
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

532.2573 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.26458 229.2
[M+Na]+ 555.24652 235.9
[M+NH4]+ 550.29112 233.9
[M+K]+ 571.22046 230.8
[M-H]- 531.25002 231.0
[M+Na-2H]- 553.23197 230.8
[M]+ 532.25675 230.2
[M]- 532.25785 230.2
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