CID 39847213

161452-54-6

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5/c1-14(2)11-20(22(27)28)25-21(26)12-24-23(29)30-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t20-/m0/s1
InChIKey
RSMQLXCBGDXRHB-FQEVSTJZSA-N
Compound name
(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 198.7
[M+Na]+ 433.17339 200.6
[M-H]- 409.17689 201.6
[M+NH4]+ 428.21799 210.9
[M+K]+ 449.14733 198.2
[M+H-H2O]+ 393.18143 191.2
[M+HCOO]- 455.18237 215.7
[M+CH3COO]- 469.19802 229.0
[M+Na-2H]- 431.15884 197.2
[M]+ 410.18362 200.9
[M]- 410.18472 200.9
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.