CID 178200913

4-(1,3-dioxaindan-5-yl)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

Structural Information

Molecular Formula
C26H23NO6
SMILES
C1OC2=C(O1)C=C(C=C2)CC(CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO6/c28-25(29)13-17(11-16-9-10-23-24(12-16)33-15-32-23)27-26(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-15H2,(H,27,30)(H,28,29)
InChIKey
NSSWICZETZQAIB-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.15253 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.159806 203.3
[M+Na]+ 468.141748 207.2
[M-H]- 444.145254 212.3
[M+NH4]+ 463.186353 214.2
[M+K]+ 484.115688 205.6
[M+H-H2O]+ 428.149790 196.6
[M+HCOO]- 490.150731 218.6
[M+CH3COO]- 504.166381 211.7
[M+Na-2H]- 466.127196 203.6
[M]+ 445.15198142 207.8
[M]- 445.15307858 207.8
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.