CID 135742631

Fmoc-d-dab(dde)-oh

Structural Information

Molecular Formula
C29H32N2O6
SMILES
CC(=NCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m1/s1
InChIKey
AFBHGOUICAXOQZ-HSZRJFAPSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

504.22604 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.23332 220.9
[M+Na]+ 527.21526 223.2
[M-H]- 503.21876 226.7
[M+NH4]+ 522.25986 231.2
[M+K]+ 543.18920 220.0
[M+H-H2O]+ 487.22330 213.0
[M+HCOO]- 549.22424 235.2
[M+CH3COO]- 563.23989 247.8
[M+Na-2H]- 525.20071 217.8
[M]+ 504.22549 222.6
[M]- 504.22659 222.6
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

No patent data available for this compound.