CID 132344268

2137065-83-7

Structural Information

Molecular Formula
C26H30N2O6
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)N(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H30N2O6/c1-26(2,3)34-24(31)27-13-12-17(14-27)28(15-23(29)30)25(32)33-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,29,30)/t17-/m0/s1
InChIKey
CCDFDFQWAURBIC-KRWDZBQOSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21768 212.4
[M+Na]+ 489.19962 214.5
[M-H]- 465.20312 219.0
[M+NH4]+ 484.24422 223.8
[M+K]+ 505.17356 213.2
[M+H-H2O]+ 449.20766 205.3
[M+HCOO]- 511.20860 226.4
[M+CH3COO]- 525.22425 235.6
[M+Na-2H]- 487.18507 209.4
[M]+ 466.20985 215.9
[M]- 466.21095 215.9
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.