CID 165902553

2-[3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propyl]propanedioic acid

Structural Information

Molecular Formula
C21H21NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(C(=O)O)C(=O)O
InChI
InChI=1S/C21H21NO6/c23-19(24)17(20(25)26)10-5-11-22-21(27)28-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-18H,5,10-12H2,(H,22,27)(H,23,24)(H,25,26)
InChIKey
YEUWQLISWPOODZ-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 188.7
[M+Na]+ 406.12612 192.0
[M-H]- 382.12962 190.6
[M+NH4]+ 401.17072 201.6
[M+K]+ 422.10006 189.1
[M+H-H2O]+ 366.13416 181.8
[M+HCOO]- 428.13510 205.0
[M+CH3COO]- 442.15075 217.6
[M+Na-2H]- 404.11157 188.5
[M]+ 383.13635 191.2
[M]- 383.13745 191.2
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.