CID 45934236

2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-(1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C27H24N2O4
SMILES
CN(C(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-29(25(26(30)31)14-17-15-28-24-13-7-6-8-18(17)24)27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23,25,28H,14,16H2,1H3,(H,30,31)
InChIKey
IYEODAZATZJQGN-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.1736 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 205.1
[M+Na]+ 463.16282 209.9
[M-H]- 439.16632 212.3
[M+NH4]+ 458.20742 217.6
[M+K]+ 479.13676 205.1
[M+H-H2O]+ 423.17086 196.9
[M+HCOO]- 485.17180 222.1
[M+CH3COO]- 499.18745 213.2
[M+Na-2H]- 461.14827 204.4
[M]+ 440.17305 208.6
[M]- 440.17415 208.6
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

patents stripe