CID 103708395

1690586-74-3

Structural Information

Molecular Formula
C22H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC=C4)C(=O)O
InChI
InChI=1S/C22H20N2O4/c25-21(26)20(11-14-9-10-23-12-14)24-22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19-20,23H,11,13H2,(H,24,27)(H,25,26)
InChIKey
QDDIKVNUBOXYKQ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 189.2
[M+Na]+ 399.13152 198.4
[M+NH4]+ 394.17612 195.2
[M+K]+ 415.10546 196.8
[M-H]- 375.13502 191.0
[M+Na-2H]- 397.11697 192.5
[M]+ 376.14175 190.6
[M]- 376.14285 190.6
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

No patent data available for this compound.