CID 138376141

1013328-63-6

Structural Information

Molecular Formula
C31H24N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC5=C(C=C4)NC6=CC=CC=C6C5=O)C(=O)O
InChI
InChI=1S/C31H24N2O5/c34-29-23-11-5-6-12-26(23)32-27-14-13-18(15-24(27)29)16-28(30(35)36)33-31(37)38-17-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-15,25,28H,16-17H2,(H,32,34)(H,33,37)(H,35,36)/t28-/m0/s1
InChIKey
CMMIEUQIDDERGZ-NDEPHWFRSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(9-oxo-10H-acridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16852 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17580 216.3
[M+Na]+ 527.15774 221.5
[M-H]- 503.16124 222.5
[M+NH4]+ 522.20234 224.2
[M+K]+ 543.13168 215.1
[M+H-H2O]+ 487.16578 205.8
[M+HCOO]- 549.16672 229.7
[M+CH3COO]- 563.18237 222.5
[M+Na-2H]- 525.14319 218.9
[M]+ 504.16797 218.7
[M]- 504.16907 218.7
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.